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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.
Imidazoles (2,523)
Thiazoles (1,535)
Pyrazoles (1,311)
Triazoles (575)
Oxazoles (429)
Isoxazoles (235)
Oxadiazoles (212)
Thiadiazoles (70)
Dithiazoles (4)

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1 – 15 of 5,632 results
1

Thermo Scientific Chemicals 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 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

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
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

2-Amino-4-phenylthiazole, 97%

CAS: 2010-06-2 Molecular Formula: C9H8N2S Molecular Weight (g/mol): 176.24 MDL Number: MFCD00039680 InChI Key: PYSJLPAOBIGQPK-UHFFFAOYSA-N

CAS 2010-06-2
Molecular Weight (g/mol) 176.24
MDL Number MFCD00039680
InChI Key PYSJLPAOBIGQPK-UHFFFAOYSA-N
Molecular Formula C9H8N2S
3

Urocanic acid, 98%

CAS: 104-98-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O

EDGE
PubChem CID 1549103
CAS 104-98-3
Molecular Weight (g/mol) 138.13
ChEBI CHEBI:30818
MDL Number MFCD00005203
SMILES C1=C(NC=N1)C=CC(=O)O
Synonym urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid
IUPAC Name (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI Key LOIYMIARKYCTBW-UPHRSURJSA-N
Molecular Formula C6H6N2O2
4

1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

EDGE
PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
5

1,2,4-Triazole, 99%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3
6

2-Bromo-4,5-dichloroimidazole, 98%

CAS: 16076-27-0 Molecular Formula: C3HBrCl2N2 Molecular Weight (g/mol): 215.86 MDL Number: MFCD00067894 InChI Key: SULQOTGFPPFUMG-UHFFFAOYSA-N Synonym: 2-bromo-4,5-dichloroimidazole,imidazole, 2-bromo-4,5-dichloro,1h-imidazole, 2-bromo-4,5-dichloro,imidazole,5-dichloro,acmc-20ao2s,1h-imidazole,5-dichloro,5-23-04-00463 beilstein handbook reference,2-bromo-4,5-dichloro-imidazole,2-bromo-4,5-dichloro-3h-imidazole PubChem CID: 99484 IUPAC Name: 2-bromo-4,5-dichloro-1H-imidazole SMILES: ClC1=C(Cl)N=C(Br)N1

PubChem CID 99484
CAS 16076-27-0
Molecular Weight (g/mol) 215.86
MDL Number MFCD00067894
SMILES ClC1=C(Cl)N=C(Br)N1
Synonym 2-bromo-4,5-dichloroimidazole,imidazole, 2-bromo-4,5-dichloro,1h-imidazole, 2-bromo-4,5-dichloro,imidazole,5-dichloro,acmc-20ao2s,1h-imidazole,5-dichloro,5-23-04-00463 beilstein handbook reference,2-bromo-4,5-dichloro-imidazole,2-bromo-4,5-dichloro-3h-imidazole
IUPAC Name 2-bromo-4,5-dichloro-1H-imidazole
InChI Key SULQOTGFPPFUMG-UHFFFAOYSA-N
Molecular Formula C3HBrCl2N2
7

1-Butyl-2,3-dimethylimidazolium hexafluorophosphate, 99%

CAS: 227617-70-1 Molecular Formula: C9H17F6N2P Molecular Weight (g/mol): 298.21 MDL Number: MFCD03790877 InChI Key: JWFPQAXAGSAKRF-UHFFFAOYSA-N Synonym: 1-butyl-2,3-dimethylimidazolium hexafluorophosphate,1-butyl-2,3-dimethyl-1h-imidazol-3-ium hexafluorophosphate v,1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate,3-butyl-1,2-dimethylimidazol-1-ium hexafluorophosphate,acmc-209fyn,bdmim pf6,c4c1mim pf6,c4mmim pf6,dsstox_cid_27883,dsstox_rid_82636 PubChem CID: 11243457 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C

PubChem CID 11243457
CAS 227617-70-1
Molecular Weight (g/mol) 298.21
MDL Number MFCD03790877
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C
Synonym 1-butyl-2,3-dimethylimidazolium hexafluorophosphate,1-butyl-2,3-dimethyl-1h-imidazol-3-ium hexafluorophosphate v,1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate,3-butyl-1,2-dimethylimidazol-1-ium hexafluorophosphate,acmc-209fyn,bdmim pf6,c4c1mim pf6,c4mmim pf6,dsstox_cid_27883,dsstox_rid_82636
IUPAC Name 1-butyl-2,3-dimethylimidazol-3-ium;hexafluorophosphate
InChI Key JWFPQAXAGSAKRF-UHFFFAOYSA-N
Molecular Formula C9H17F6N2P
8

1-Butyl-2,3-dimethylimidazolium chloride, 99%

CAS: 98892-75-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.699 MDL Number: MFCD03093291 InChI Key: HHHYPTORQNESCU-UHFFFAOYSA-M Synonym: 1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride PubChem CID: 2734167 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;chloride SMILES: CCCCN1C=C[N+](=C1C)C.[Cl-]

PubChem CID 2734167
CAS 98892-75-2
Molecular Weight (g/mol) 188.699
MDL Number MFCD03093291
SMILES CCCCN1C=C[N+](=C1C)C.[Cl-]
Synonym 1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride
IUPAC Name 1-butyl-2,3-dimethylimidazol-3-ium;chloride
InChI Key HHHYPTORQNESCU-UHFFFAOYSA-M
Molecular Formula C9H17ClN2
9

5-(2-Methyl-1,3-thiazol-4-yl)-3-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 368870-05-7 Molecular Formula: C8H6N2O3S Molecular Weight (g/mol): 210.207 MDL Number: MFCD03086107 InChI Key: QAXQRHWAJNDTCV-UHFFFAOYSA-N Synonym: 5-2-methyl-1,3-thiazol-4-yl-3-isoxazolecarboxylic acid,5-2-methyl-1,3-thiazol-4-yl-1,2-oxazole-3-carboxylic acid,3-isoxazolecarboxylicacid, 5-2-methyl-4-thiazolyl,5-2-methyl-1,3-thiazol-4-yl-3-isoxazolecarboxyli,5-2-methylthiazol-4-yl isoxazole-3-carboxylic acid,3-carboxy-5-2-methyl-1,3-thiazol-4-yl-1,2-oxazole,4-3-carboxy-1,2-oxazol-5-yl-2-methyl-1,3-thiazole,5-2-methyl-1,3-thiazol-4-yl isoxazole-3-carboxylic acid PubChem CID: 2776408 IUPAC Name: 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxylic acid SMILES: CC1=NC(=CS1)C2=CC(=NO2)C(=O)O

PubChem CID 2776408
CAS 368870-05-7
Molecular Weight (g/mol) 210.207
MDL Number MFCD03086107
SMILES CC1=NC(=CS1)C2=CC(=NO2)C(=O)O
Synonym 5-2-methyl-1,3-thiazol-4-yl-3-isoxazolecarboxylic acid,5-2-methyl-1,3-thiazol-4-yl-1,2-oxazole-3-carboxylic acid,3-isoxazolecarboxylicacid, 5-2-methyl-4-thiazolyl,5-2-methyl-1,3-thiazol-4-yl-3-isoxazolecarboxyli,5-2-methylthiazol-4-yl isoxazole-3-carboxylic acid,3-carboxy-5-2-methyl-1,3-thiazol-4-yl-1,2-oxazole,4-3-carboxy-1,2-oxazol-5-yl-2-methyl-1,3-thiazole,5-2-methyl-1,3-thiazol-4-yl isoxazole-3-carboxylic acid
IUPAC Name 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carboxylic acid
InChI Key QAXQRHWAJNDTCV-UHFFFAOYSA-N
Molecular Formula C8H6N2O3S
10

N,2-Dimethyl-(1,3-thiazol-4-yl)methylamine, 97%, Thermo Scientific™

CAS: 144163-81-5 Molecular Formula: C6H10N2S Molecular Weight (g/mol): 142.22 MDL Number: MFCD06738964 InChI Key: GJHOBSIOQKGKSG-UHFFFAOYSA-N Synonym: methyl-2-methyl-thiazol-4-ylmethyl-amine,methyl-2-methylthiazole-4-yl methyl amine,n-methyl-1-2-methylthiazol-4-yl methanamine,methyl 2-methyl-1,3-thiazol-4-yl methyl amine,4-thiazolemethanamine,n,2-dimethyl,n-methyl 2-methylthiazol-4-yl methanamine,4-thiazolemethanamine, n,2-dimethyl,n-methyl-1-2-methyl-1,3-thiazol-4-yl methanamine,n,2-dimethyl-1,3-thiazol-4-yl methylamine,2-methyl-4-methyl aminomethyl-1,3-thiazole PubChem CID: 18939489 IUPAC Name: N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine SMILES: CC1=NC(=CS1)CNC

PubChem CID 18939489
CAS 144163-81-5
Molecular Weight (g/mol) 142.22
MDL Number MFCD06738964
SMILES CC1=NC(=CS1)CNC
Synonym methyl-2-methyl-thiazol-4-ylmethyl-amine,methyl-2-methylthiazole-4-yl methyl amine,n-methyl-1-2-methylthiazol-4-yl methanamine,methyl 2-methyl-1,3-thiazol-4-yl methyl amine,4-thiazolemethanamine,n,2-dimethyl,n-methyl 2-methylthiazol-4-yl methanamine,4-thiazolemethanamine, n,2-dimethyl,n-methyl-1-2-methyl-1,3-thiazol-4-yl methanamine,n,2-dimethyl-1,3-thiazol-4-yl methylamine,2-methyl-4-methyl aminomethyl-1,3-thiazole
IUPAC Name N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
InChI Key GJHOBSIOQKGKSG-UHFFFAOYSA-N
Molecular Formula C6H10N2S
11

2-(2-Methyl-1H-imidazol-1-yl)benzonitrile, 97%, Thermo Scientific™

CAS: 892502-27-1 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD09065013 InChI Key: NCQQCFZREDABTC-UHFFFAOYSA-N Synonym: 2-2-methyl-1h-imidazol-1-yl benzonitrile,2-2-methylimidazol-1-yl benzonitrile,2-2-methylimidazolyl benzenecarbonitrile,benzonitrile,2-2-methyl-1h-imidazol-1-yl PubChem CID: 24229637 IUPAC Name: 2-(2-methylimidazol-1-yl)benzonitrile SMILES: CC1=NC=CN1C2=CC=CC=C2C#N

PubChem CID 24229637
CAS 892502-27-1
Molecular Weight (g/mol) 183.214
MDL Number MFCD09065013
SMILES CC1=NC=CN1C2=CC=CC=C2C#N
Synonym 2-2-methyl-1h-imidazol-1-yl benzonitrile,2-2-methylimidazol-1-yl benzonitrile,2-2-methylimidazolyl benzenecarbonitrile,benzonitrile,2-2-methyl-1h-imidazol-1-yl
IUPAC Name 2-(2-methylimidazol-1-yl)benzonitrile
InChI Key NCQQCFZREDABTC-UHFFFAOYSA-N
Molecular Formula C11H9N3
12

Methyl 1,2,4-triazole-3-carboxylate, 98%

CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.1 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1

PubChem CID 2735089
CAS 4928-88-5
Molecular Weight (g/mol) 127.1
SMILES COC(=O)C1=NC=NN1
IUPAC Name methyl 1H-1,2,4-triazole-5-carboxylate
InChI Key QMPFMODFBNEYJH-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
13

2-Bromothiazole-5-carboxaldehyde, 97%

CAS: 464192-28-7 Molecular Formula: C4H2BrNOS Molecular Weight (g/mol): 192.03 MDL Number: MFCD03788567 InChI Key: DJUWIZUEHXRECB-UHFFFAOYSA-N Synonym: 2-bromo-5-formylthiazole,2-bromothiazole-5-carbaldehyde,2-bromo-5-fomylthiazole,2-bromo-thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-5-carboxaldehyde,2-bromothiazole-5-carboxaldehyde,2-bromo-5-formyl-1,3-thiazole,pubchem21412,2-bromo-thiazole-5-carboxaldehyde PubChem CID: 2773259 IUPAC Name: 2-bromo-1,3-thiazole-5-carbaldehyde SMILES: BrC1=NC=C(S1)C=O

PubChem CID 2773259
CAS 464192-28-7
Molecular Weight (g/mol) 192.03
MDL Number MFCD03788567
SMILES BrC1=NC=C(S1)C=O
Synonym 2-bromo-5-formylthiazole,2-bromothiazole-5-carbaldehyde,2-bromo-5-fomylthiazole,2-bromo-thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-5-carboxaldehyde,2-bromothiazole-5-carboxaldehyde,2-bromo-5-formyl-1,3-thiazole,pubchem21412,2-bromo-thiazole-5-carboxaldehyde
IUPAC Name 2-bromo-1,3-thiazole-5-carbaldehyde
InChI Key DJUWIZUEHXRECB-UHFFFAOYSA-N
Molecular Formula C4H2BrNOS
14

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 1034566-13-6 Molecular Formula: C6H4F3NOS Molecular Weight (g/mol): 195.159 MDL Number: MFCD12198128 InChI Key: FBQFBBGXQZDOQV-UHFFFAOYSA-N Synonym: 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carbaldehyde,5-formyl-2-methyl-4-trifluoromethyl-1,3-thiazole PubChem CID: 43811060 IUPAC Name: 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde SMILES: CC1=NC(=C(S1)C=O)C(F)(F)F

PubChem CID 43811060
CAS 1034566-13-6
Molecular Weight (g/mol) 195.159
MDL Number MFCD12198128
SMILES CC1=NC(=C(S1)C=O)C(F)(F)F
Synonym 2-methyl-4-trifluoromethyl-1,3-thiazole-5-carbaldehyde,5-formyl-2-methyl-4-trifluoromethyl-1,3-thiazole
IUPAC Name 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
InChI Key FBQFBBGXQZDOQV-UHFFFAOYSA-N
Molecular Formula C6H4F3NOS
15

5-Amino-1,3-dimethyl-1H-pyrazole, 98%

CAS: 3524-32-1 Molecular Formula: C5H9N3 Molecular Weight (g/mol): 111.148 MDL Number: MFCD00051651 InChI Key: ZFDGMMZLXSFNFU-UHFFFAOYSA-N Synonym: 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole PubChem CID: 520721 IUPAC Name: 2,5-dimethylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C

PubChem CID 520721
CAS 3524-32-1
Molecular Weight (g/mol) 111.148
MDL Number MFCD00051651
SMILES CC1=NN(C(=C1)N)C
Synonym 5-amino-1,3-dimethylpyrazole,1,3-dimethyl-1h-pyrazol-5-amine,1,3-dimethyl-1h-pyrazole-5yl-amine,1h-pyrazol-5-amine, 1,3-dimethyl,3-amino-2,5-dimethyl-2h-pyrazole,2,5-dimethyl-2h-pyrazol-3-ylamine,5-amino-1,3-dimethyl pyrazole,1,3-dimethyl-1h-pyrazole-5-amine,5-amino-1,3-dimethyl-1h-pyrazole,1,3-dimethyl-5-aminopyrazole
IUPAC Name 2,5-dimethylpyrazol-3-amine
InChI Key ZFDGMMZLXSFNFU-UHFFFAOYSA-N
Molecular Formula C5H9N3