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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (223)
Imidazoles (222)
Pyrazoles (176)
Isoxazoles (92)
Triazoles (68)
Oxazoles (62)
Oxadiazoles (21)
Thiadiazoles (17)

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Thiazolyl blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

Isoxazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 175334-72-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00276995 InChI Key: CEDRGDFENMZKCQ-UHFFFAOYSA-N Synonym: isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione PubChem CID: 2799515 IUPAC Name: 1,2-oxazole-5-carbothioamide SMILES: NC(=S)C1=CC=NO1

PubChem CID 2799515
CAS 175334-72-2
Molecular Weight (g/mol) 128.15
MDL Number MFCD00276995
SMILES NC(=S)C1=CC=NO1
Synonym isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione
IUPAC Name 1,2-oxazole-5-carbothioamide
InChI Key CEDRGDFENMZKCQ-UHFFFAOYSA-N
Molecular Formula C4H4N2OS
3

3-(Chloromethyl)-1,2,4-oxadiazole, Technical Grade, Thermo Scientific™

CAS: 51791-12-9 Molecular Formula: C3H3ClN2O Molecular Weight (g/mol): 118.52 MDL Number: MFCD00052097 InChI Key: YSNKGJCEHOJIDK-UHFFFAOYSA-N PubChem CID: 2735765 IUPAC Name: 3-(chloromethyl)-1,2,4-oxadiazole SMILES: ClCC1=NOC=N1

PubChem CID 2735765
CAS 51791-12-9
Molecular Weight (g/mol) 118.52
MDL Number MFCD00052097
SMILES ClCC1=NOC=N1
IUPAC Name 3-(chloromethyl)-1,2,4-oxadiazole
InChI Key YSNKGJCEHOJIDK-UHFFFAOYSA-N
Molecular Formula C3H3ClN2O
4

2-Methyl-2H-indazole-3-carbaldehyde, 97%, Thermo Scientific™

CAS: 34252-54-5 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00839530 InChI Key: SMWLSZQHLMZHHV-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl PubChem CID: 818117 IUPAC Name: 2-methylindazole-3-carbaldehyde SMILES: CN1N=C2C=CC=CC2=C1C=O

PubChem CID 818117
CAS 34252-54-5
Molecular Weight (g/mol) 160.18
MDL Number MFCD00839530
SMILES CN1N=C2C=CC=CC2=C1C=O
Synonym 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl
IUPAC Name 2-methylindazole-3-carbaldehyde
InChI Key SMWLSZQHLMZHHV-UHFFFAOYSA-N
Molecular Formula C9H8N2O
5

1:3-Dimethyl-1H-pyrazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 844891-03-8 Molecular Formula: C6H9N3S Molecular Weight (g/mol): 155.219 InChI Key: RVWYPAZKPYVUDC-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carbothioamide,1h-pyrazole-5-carbothioamide,1,3-dimethyl,amino 1,3-dimethylpyrazol-5-yl methane-1-thione PubChem CID: 2795270 IUPAC Name: 2,5-dimethylpyrazole-3-carbothioamide SMILES: CC1=NN(C(=C1)C(=S)N)C

PubChem CID 2795270
CAS 844891-03-8
Molecular Weight (g/mol) 155.219
SMILES CC1=NN(C(=C1)C(=S)N)C
Synonym 1,3-dimethyl-1h-pyrazole-5-carbothioamide,1h-pyrazole-5-carbothioamide,1,3-dimethyl,amino 1,3-dimethylpyrazol-5-yl methane-1-thione
IUPAC Name 2,5-dimethylpyrazole-3-carbothioamide
InChI Key RVWYPAZKPYVUDC-UHFFFAOYSA-N
Molecular Formula C6H9N3S
6

2-Phenyl-1,3-thiazole-4-carbonyl chloride, Thermo Scientific™

CAS: 36094-04-9 Molecular Formula: C10H6ClNOS Molecular Weight (g/mol): 223.674 InChI Key: ZZFOIDMEHXGBKS-UHFFFAOYSA-N Synonym: 2-phenylthiazole-4-carbonyl chloride,2-phenyl-thiazole-4-carbonyl chloride,4-thiazolecarbonylchloride, 2-phenyl PubChem CID: 2776472 IUPAC Name: 2-phenyl-1,3-thiazole-4-carbonyl chloride SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl

PubChem CID 2776472
CAS 36094-04-9
Molecular Weight (g/mol) 223.674
SMILES C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl
Synonym 2-phenylthiazole-4-carbonyl chloride,2-phenyl-thiazole-4-carbonyl chloride,4-thiazolecarbonylchloride, 2-phenyl
IUPAC Name 2-phenyl-1,3-thiazole-4-carbonyl chloride
InChI Key ZZFOIDMEHXGBKS-UHFFFAOYSA-N
Molecular Formula C10H6ClNOS
7

4-(1,2,3-Thiadiazol-4-yl)benzamide, 95%, Thermo Scientific™

CAS: 175205-53-5 Molecular Formula: C9H7N3OS Molecular Weight (g/mol): 205.235 MDL Number: MFCD00173809 InChI Key: PAVNUEROKSNSDS-UHFFFAOYSA-N Synonym: 4-1,2,3-thiadiazol-4-yl benzamide,maybridge1_007554,4-thiadiazol-4-yl benzamide,benzamide,4-1,2,3-thiadiazol-4-yl PubChem CID: 2739359 IUPAC Name: 4-(thiadiazol-4-yl)benzamide SMILES: C1=CC(=CC=C1C2=CSN=N2)C(=O)N

PubChem CID 2739359
CAS 175205-53-5
Molecular Weight (g/mol) 205.235
MDL Number MFCD00173809
SMILES C1=CC(=CC=C1C2=CSN=N2)C(=O)N
Synonym 4-1,2,3-thiadiazol-4-yl benzamide,maybridge1_007554,4-thiadiazol-4-yl benzamide,benzamide,4-1,2,3-thiadiazol-4-yl
IUPAC Name 4-(thiadiazol-4-yl)benzamide
InChI Key PAVNUEROKSNSDS-UHFFFAOYSA-N
Molecular Formula C9H7N3OS
8

1-phenyl-1H-imidazole-2-carbaldehyde, Thermo Scientific™

CAS: 6002-15-9 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 InChI Key: VJDRBJPZIHUDNE-UHFFFAOYSA-N Synonym: 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde PubChem CID: 6424701 IUPAC Name: 1-phenylimidazole-2-carbaldehyde SMILES: C1=CC=C(C=C1)N2C=CN=C2C=O

PubChem CID 6424701
CAS 6002-15-9
Molecular Weight (g/mol) 172.187
SMILES C1=CC=C(C=C1)N2C=CN=C2C=O
Synonym 1-phenyl-1h-imidazole-2-carbaldehyde,1h-imidazole-2-carboxaldehyde, 1-phenyl,1h-imidazole-2-carbaldehyde, 1-phenyl,1-phenyl-2-formylimidazole,1-phenylimidazole-2-carboxaldehyde
IUPAC Name 1-phenylimidazole-2-carbaldehyde
InChI Key VJDRBJPZIHUDNE-UHFFFAOYSA-N
Molecular Formula C10H8N2O
9

Isoxazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
10

4-Methyl-2-phenyl-1,3-oxazole-5-carbaldehyde, 95%, Thermo Scientific™

CAS: 953408-85-0 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD11109318 InChI Key: NIYJTYPVRBYCEZ-UHFFFAOYSA-N Synonym: 5-formyl-4-methyl-2-phenyl-1,3-oxazole,4-methyl-2-phenyloxazole-5-carbaldehyde,4-methyl-2-phenyl-1,3-oxazole-5-carboxaldehyde PubChem CID: 26343583 IUPAC Name: 4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde SMILES: CC1=C(OC(=N1)C2=CC=CC=C2)C=O

PubChem CID 26343583
CAS 953408-85-0
Molecular Weight (g/mol) 187.198
MDL Number MFCD11109318
SMILES CC1=C(OC(=N1)C2=CC=CC=C2)C=O
Synonym 5-formyl-4-methyl-2-phenyl-1,3-oxazole,4-methyl-2-phenyloxazole-5-carbaldehyde,4-methyl-2-phenyl-1,3-oxazole-5-carboxaldehyde
IUPAC Name 4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde
InChI Key NIYJTYPVRBYCEZ-UHFFFAOYSA-N
Molecular Formula C11H9NO2
11

4-(2-Methyl-1H-imidazol-1-yl)benzoic acid hydrochloride hydrate, 95%, Thermo Scientific™

CAS: 921938-78-5 Molecular Formula: C11H13ClN2O3 Molecular Weight (g/mol): 256.686 InChI Key: PSHJNJCAKINUEP-UHFFFAOYSA-N Synonym: 4-2-methyl-1h-imidazol-1-yl benzoic acid hydrochloride hydrate,4-2-methylimidazol-1-yl benzoic acid hydrate hydrochloride PubChem CID: 44118781 IUPAC Name: 4-(2-methylimidazol-1-yl)benzoic acid;hydrate;hydrochloride SMILES: CC1=NC=CN1C2=CC=C(C=C2)C(=O)O.O.Cl

PubChem CID 44118781
CAS 921938-78-5
Molecular Weight (g/mol) 256.686
SMILES CC1=NC=CN1C2=CC=C(C=C2)C(=O)O.O.Cl
Synonym 4-2-methyl-1h-imidazol-1-yl benzoic acid hydrochloride hydrate,4-2-methylimidazol-1-yl benzoic acid hydrate hydrochloride
IUPAC Name 4-(2-methylimidazol-1-yl)benzoic acid;hydrate;hydrochloride
InChI Key PSHJNJCAKINUEP-UHFFFAOYSA-N
Molecular Formula C11H13ClN2O3
13

4-(Chloromethyl)-2-(3-chlorophenyl)-1,3-thiazole hydrochloride, 97+%, Thermo Scientific™

CAS: 690632-83-8 Molecular Formula: C10H8Cl3NS Molecular Weight (g/mol): 280.59 MDL Number: MFCD05664422 InChI Key: CSXLYGPSLQHDEK-UHFFFAOYSA-N Synonym: 4-chloromethyl-2-3-chlorophenyl thiazole hydrochloride,4-chloromethyl-2-3-chlorophenyl-1,3-thiazole hydrochloride,4-chloromethyl-2-3-chlorophenyl-1,3-thiazole-hydrogen chloride 1/1 PubChem CID: 2794670 IUPAC Name: 4-(chloromethyl)-2-(3-chlorophenyl)-1,3-thiazole;hydrochloride SMILES: Cl.ClCC1=CSC(=N1)C1=CC(Cl)=CC=C1

PubChem CID 2794670
CAS 690632-83-8
Molecular Weight (g/mol) 280.59
MDL Number MFCD05664422
SMILES Cl.ClCC1=CSC(=N1)C1=CC(Cl)=CC=C1
Synonym 4-chloromethyl-2-3-chlorophenyl thiazole hydrochloride,4-chloromethyl-2-3-chlorophenyl-1,3-thiazole hydrochloride,4-chloromethyl-2-3-chlorophenyl-1,3-thiazole-hydrogen chloride 1/1
IUPAC Name 4-(chloromethyl)-2-(3-chlorophenyl)-1,3-thiazole;hydrochloride
InChI Key CSXLYGPSLQHDEK-UHFFFAOYSA-N
Molecular Formula C10H8Cl3NS
14

4-Methyl-2-phenyl-1,3-thiazole-5-carbaldehyde, Thermo Scientific™

CAS: 55327-23-6 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.26 MDL Number: MFCD04974047 InChI Key: QRPSQJOXOZJEHJ-UHFFFAOYSA-N Synonym: 4-methyl-2-phenylthiazole-5-carbaldehyde,4-methyl-2-phenyl-thiazole-5-carbaldehyde,2-phenyl-4-methylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 4-methyl-2-phenyl PubChem CID: 2795491 IUPAC Name: 4-methyl-2-phenyl-1,3-thiazole-5-carbaldehyde SMILES: CC1=C(SC(=N1)C1=CC=CC=C1)C=O

PubChem CID 2795491
CAS 55327-23-6
Molecular Weight (g/mol) 203.26
MDL Number MFCD04974047
SMILES CC1=C(SC(=N1)C1=CC=CC=C1)C=O
Synonym 4-methyl-2-phenylthiazole-5-carbaldehyde,4-methyl-2-phenyl-thiazole-5-carbaldehyde,2-phenyl-4-methylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 4-methyl-2-phenyl
IUPAC Name 4-methyl-2-phenyl-1,3-thiazole-5-carbaldehyde
InChI Key QRPSQJOXOZJEHJ-UHFFFAOYSA-N
Molecular Formula C11H9NOS
15

1-Chloromethyl-1H-1,2,4-triazole, hydrochloride, 98%, Thermo Scientific™

CAS: 84387-61-1 Molecular Formula: C3H5Cl2N3 Molecular Weight (g/mol): 153.99 MDL Number: MFCD00964947 InChI Key: GXVWDLWTFIDZLR-UHFFFAOYSA-N Synonym: 1-chloromethyl-1h-1,2,4-triazole hydrochloride,1-chloromethyl-1,2,4-triazole hydrochloride,1h-1,2,4-triazole,1-chloromethyl-,monohydrochloride,1h-1,2,4-triazole, 1-chloromethyl-, monohydrochloride PubChem CID: 13268168 IUPAC Name: 1-(chloromethyl)-1,2,4-triazole;hydrochloride SMILES: Cl.ClCN1C=NC=N1

PubChem CID 13268168
CAS 84387-61-1
Molecular Weight (g/mol) 153.99
MDL Number MFCD00964947
SMILES Cl.ClCN1C=NC=N1
Synonym 1-chloromethyl-1h-1,2,4-triazole hydrochloride,1-chloromethyl-1,2,4-triazole hydrochloride,1h-1,2,4-triazole,1-chloromethyl-,monohydrochloride,1h-1,2,4-triazole, 1-chloromethyl-, monohydrochloride
IUPAC Name 1-(chloromethyl)-1,2,4-triazole;hydrochloride
InChI Key GXVWDLWTFIDZLR-UHFFFAOYSA-N
Molecular Formula C3H5Cl2N3