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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 (2,148)
Thiazoles (1,193)
Pyrazoles (976)
Triazoles (512)
Oxazoles (337)
Isoxazoles (231)
Oxadiazoles (158)
Thiadiazoles (69)
Dithiazoles (4)

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1 – 15 of 4,396 results
1

Thermo Scientific Chemicals 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

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

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
3

Thermo Scientific Chemicals 5-Aminoimidazole-4-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

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PubChem CID 9679
CAS 360-97-4
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:2030
MDL Number MFCD02181040
SMILES NC(=O)C1=C(N)N=CN1
Synonym 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name 4-amino-1H-imidazole-5-carboxamide
InChI Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula C4H6N4O
4

Thermo Scientific Chemicals 2-Amino-5-methylthiazole, 98%

CAS: 7305-71-7 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00078317 InChI Key: GUABFMPMKJGSBQ-UHFFFAOYSA-N Synonym: 2-amino-5-methylthiazole,5-methylthiazol-2-amine,2-thiazolamine, 5-methyl,2-amino-5-methyl-thiazole,thiazole, 2-amino-5-methyl,5-methyl-2-thiazolamine,5-methyl-2-aminothiazole,unii-7rab78af2p,2-amino-5-methyl thiazole,meloxicam related compound b PubChem CID: 351770 IUPAC Name: 5-methyl-1,3-thiazol-2-amine SMILES: CC1=CN=C(S1)N

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PubChem CID 351770
CAS 7305-71-7
Molecular Weight (g/mol) 114.17
MDL Number MFCD00078317
SMILES CC1=CN=C(S1)N
Synonym 2-amino-5-methylthiazole,5-methylthiazol-2-amine,2-thiazolamine, 5-methyl,2-amino-5-methyl-thiazole,thiazole, 2-amino-5-methyl,5-methyl-2-thiazolamine,5-methyl-2-aminothiazole,unii-7rab78af2p,2-amino-5-methyl thiazole,meloxicam related compound b
IUPAC Name 5-methyl-1,3-thiazol-2-amine
InChI Key GUABFMPMKJGSBQ-UHFFFAOYSA-N
Molecular Formula C4H6N2S
5

Thermo Scientific Chemicals 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

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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
6

Thermo Scientific Chemicals 2-Bromothiazole-4-carboxaldehyde, 97%

CAS: 5198-80-1 Molecular Formula: C4H2BrNOS Molecular Weight (g/mol): 192.03 MDL Number: MFCD04115726 InChI Key: JDUXMFGFGCJNGO-UHFFFAOYSA-N Synonym: 2-bromothiazole-4-carbaldehyde,2-bromo-4-formylthiazole,2-bromo-4-fomylthiazole,2-bromothiazole-4-carboxaldehyde,4-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-4-carboxaldehyde,2-bromo-4-formyl-1,3-thiazole,pubchem8915,acmc-209kx4,2-bromo-4-thiazole carboxaldehyde PubChem CID: 17750433 IUPAC Name: 2-bromo-1,3-thiazole-4-carbaldehyde SMILES: BrC1=CSC(C=O)=N1

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PubChem CID 17750433
CAS 5198-80-1
Molecular Weight (g/mol) 192.03
MDL Number MFCD04115726
SMILES BrC1=CSC(C=O)=N1
Synonym 2-bromothiazole-4-carbaldehyde,2-bromo-4-formylthiazole,2-bromo-4-fomylthiazole,2-bromothiazole-4-carboxaldehyde,4-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-4-carboxaldehyde,2-bromo-4-formyl-1,3-thiazole,pubchem8915,acmc-209kx4,2-bromo-4-thiazole carboxaldehyde
IUPAC Name 2-bromo-1,3-thiazole-4-carbaldehyde
InChI Key JDUXMFGFGCJNGO-UHFFFAOYSA-N
Molecular Formula C4H2BrNOS
7

Thermo Scientific Chemicals Pyrazole, 98%, pure

CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

EDGE
PubChem CID 1048
CAS 288-13-1
Molecular Weight (g/mol) 68.08
ChEBI CHEBI:17241
MDL Number MFCD00005234
SMILES C1=CNN=C1
Synonym pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name 1H-pyrazole
InChI Key WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula C3H4N2
8

Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

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CAS 19387-91-8
Molecular Weight (g/mol) 247.27
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
9

Thermo Scientific Chemicals 1-Octyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 304680-36-2 Molecular Formula: C12H23F6N2P Molecular Weight (g/mol): 340.29 MDL Number: MFCD03427617 InChI Key: GRCIJNHHTXBJAK-UHFFFAOYSA-N Synonym: 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l PubChem CID: 2734243 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1

EDGE
PubChem CID 2734243
CAS 304680-36-2
Molecular Weight (g/mol) 340.29
MDL Number MFCD03427617
SMILES F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1
Synonym 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l
IUPAC Name 1-methyl-3-octylimidazol-1-ium;hexafluorophosphate
InChI Key GRCIJNHHTXBJAK-UHFFFAOYSA-N
Molecular Formula C12H23F6N2P
10

Thermo Scientific Chemicals 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

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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
11

Thermo Scientific Chemicals 3-Methylpyrazole, 99%

CAS: 1453-58-3 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005240,MFCD08685900 InChI Key: XKVUYEYANWFIJX-UHFFFAOYSA-N PubChem CID: 15073 IUPAC Name: 5-methyl-1H-pyrazole SMILES: CC1=CC=NN1

EDGE
PubChem CID 15073
CAS 1453-58-3
Molecular Weight (g/mol) 82.11
MDL Number MFCD00005240,MFCD08685900
SMILES CC1=CC=NN1
IUPAC Name 5-methyl-1H-pyrazole
InChI Key XKVUYEYANWFIJX-UHFFFAOYSA-N
Molecular Formula C4H6N2
12

Thermo Scientific Chemicals 4-Methyl-5-thiazoleethanol, 98%

CAS: 137-00-8 Molecular Formula: C6H9NOS Molecular Weight (g/mol): 143.21 MDL Number: MFCD00005339 InChI Key: BKAWJIRCKVUVED-UHFFFAOYSA-N Synonym: 4-methyl-5-thiazoleethanol,sulfurol,5-2-hydroxyethyl-4-methylthiazole,hemineurine,2-4-methylthiazol-5-yl ethanol,4-methyl-5-thiazolethanol,5-thiazoleethanol, 4-methyl,2-4-methyl-1,3-thiazol-5-yl ethanol,4-methyl-5-hydroxyethylthiazole,2-4-methyl-1,3-thiazol-5-yl ethan-1-ol PubChem CID: 1136 ChEBI: CHEBI:17957 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethanol SMILES: CC1=C(SC=N1)CCO

EDGE
PubChem CID 1136
CAS 137-00-8
Molecular Weight (g/mol) 143.21
ChEBI CHEBI:17957
MDL Number MFCD00005339
SMILES CC1=C(SC=N1)CCO
Synonym 4-methyl-5-thiazoleethanol,sulfurol,5-2-hydroxyethyl-4-methylthiazole,hemineurine,2-4-methylthiazol-5-yl ethanol,4-methyl-5-thiazolethanol,5-thiazoleethanol, 4-methyl,2-4-methyl-1,3-thiazol-5-yl ethanol,4-methyl-5-hydroxyethylthiazole,2-4-methyl-1,3-thiazol-5-yl ethan-1-ol
IUPAC Name 2-(4-methyl-1,3-thiazol-5-yl)ethanol
InChI Key BKAWJIRCKVUVED-UHFFFAOYSA-N
Molecular Formula C6H9NOS
13

Thermo Scientific Chemicals 1H-Imidazole-4-carboxylic acid, 98%

CAS: 1072-84-0 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00082203 InChI Key: NKWCGTOZTHZDHB-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid PubChem CID: 14080 IUPAC Name: 1H-imidazole-5-carboxylic acid SMILES: OC(=O)C1=CN=CN1

EDGE
PubChem CID 14080
CAS 1072-84-0
Molecular Weight (g/mol) 112.09
MDL Number MFCD00082203
SMILES OC(=O)C1=CN=CN1
Synonym 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid
IUPAC Name 1H-imidazole-5-carboxylic acid
InChI Key NKWCGTOZTHZDHB-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
14

Thermo Scientific Chemicals 3-Amino-4-pyrazolecarbonitrile, 98%

CAS: 16617-46-2 MDL Number: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Synonym: 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole PubChem CID: 85515 IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile SMILES: C1=NNC(=C1C#N)N

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PubChem CID 85515
CAS 16617-46-2
MDL Number MFCD00005237
SMILES C1=NNC(=C1C#N)N
Synonym 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole
IUPAC Name 5-amino-1H-pyrazole-4-carbonitrile
InChI Key FFNKBQRKZRMYCL-UHFFFAOYSA-N
15

Thermo Scientific Chemicals 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride, 95%

CAS: 141556-45-8 Molecular Formula: C21H25ClN2 Molecular Weight (g/mol): 340.90 MDL Number: MFCD02684541 InChI Key: OTOSIXGMLYKKOW-UHFFFAOYSA-M Synonym: 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride PubChem CID: 2734211 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride SMILES: [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1

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PubChem CID 2734211
CAS 141556-45-8
Molecular Weight (g/mol) 340.90
MDL Number MFCD02684541
SMILES [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
Synonym 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride
IUPAC Name 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
InChI Key OTOSIXGMLYKKOW-UHFFFAOYSA-M
Molecular Formula C21H25ClN2