2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide

C12H10N4O2S — CID 104848874

IUPAC2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H10N4O2S/c1-18-10-4-7(5-13)2-3-8(10)15-11(17)9-6-19-12(14)16-9/h2-4,6H,1H3,(H2,14,16)(H,15,17)
InChIKeyBXNBFIASWMDLHE-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 104848874) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID104848874
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H10N4O2S/c1-18-10-4-7(5-13)2-3-8(10)15-11(17)9-6-19-12(14)16-9/h2-4,6H,1H3,(H2,14,16)(H,15,17)
InChIKeyBXNBFIASWMDLHE-UHFFFAOYSA-N
XLogP1.86
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid
CID 63744459
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
ethyl 2-(4-cyano-2-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 104850151
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
2-amino-N-(4-cyano-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105387348
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 104848874) is 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(C#N)ccc1NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BXNBFIASWMDLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-18-10-4-7(5-13)2-3-8(10)15-11(17)9-6-19-12(14)16-9/h2-4,6H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 104848874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).