2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide

C12H10N6OS — CID 15623106

IUPAC2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)Nc2nn[nH]n2)cs1
InChIInChI=1S/C12H10N6OS/c1-7-4-2-3-5-8(7)11-13-9(6-20-11)10(19)14-12-15-17-18-16-12/h2-6H,1H3,(H2,14,15,16,17,18,19)
InChIKeyURYHFISJBNNEEC-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.88
Rot. Bonds3

About 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide

2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 15623106) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID15623106
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)Nc2nn[nH]n2)cs1
InChIInChI=1S/C12H10N6OS/c1-7-4-2-3-5-8(7)11-13-9(6-20-11)10(19)14-12-15-17-18-16-12/h2-6H,1H3,(H2,14,15,16,17,18,19)
InChIKeyURYHFISJBNNEEC-UHFFFAOYSA-N
XLogP1.88
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623145
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119508196
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 95171393
CID 70476554
CID 70476554
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
3-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 71240060

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 15623106) is 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide is Cc1ccccc1-c1nc(C(=O)Nc2nn[nH]n2)cs1.
What is the InChIKey of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is URYHFISJBNNEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c1-7-4-2-3-5-8(7)11-13-9(6-20-11)10(19)14-12-15-17-18-16-12/h2-6H,1H3,(H2,14,15,16,17,18,19).
What are the key properties of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 15623106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).