N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C17H14N4O2S — CID 90510250

IUPACN-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2csc(Nc3cccnc3)n2)c1
InChIInChI=1S/C17H14N4O2S/c1-11(22)12-4-2-5-13(8-12)19-16(23)15-10-24-17(21-15)20-14-6-3-7-18-9-14/h2-10H,1H3,(H,19,23)(H,20,21)
InChIKeyCMUQAZDQINXXLS-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.74
Rot. Bonds5

About N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90510250) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90510250
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2csc(Nc3cccnc3)n2)c1
InChIInChI=1S/C17H14N4O2S/c1-11(22)12-4-2-5-13(8-12)19-16(23)15-10-24-17(21-15)20-14-6-3-7-18-9-14/h2-10H,1H3,(H,19,23)(H,20,21)
InChIKeyCMUQAZDQINXXLS-UHFFFAOYSA-N
XLogP3.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
3-[[2-(propanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164379
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510350
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153384
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 90510250) is N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2csc(Nc3cccnc3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is CMUQAZDQINXXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11(22)12-4-2-5-13(8-12)19-16(23)15-10-24-17(21-15)20-14-6-3-7-18-9-14/h2-10H,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90510250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).