N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C18H17N3O2S — CID 75438651

IUPACN-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cc2nc(C(=O)Nc3c[nH]c(=O)c(C)c3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-3-5-13(6-4-11)8-16-21-15(10-24-16)18(23)20-14-7-12(2)17(22)19-9-14/h3-7,9-10H,8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySGVANCQNYPZGMP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.29
Rot. Bonds4

About N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 75438651) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID75438651
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cc2nc(C(=O)Nc3c[nH]c(=O)c(C)c3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-3-5-13(6-4-11)8-16-21-15(10-24-16)18(23)20-14-7-12(2)17(22)19-9-14/h3-7,9-10H,8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySGVANCQNYPZGMP-UHFFFAOYSA-N
XLogP3.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526918
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
5-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 120525274
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
CID 28731409
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554668
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-1H-pyridin-2-one
CID 83130975
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
2-[(3,4-dimethylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 62900341
N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 166225827
2-benzyl-N-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 39887290

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 75438651) is N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(Cc2nc(C(=O)Nc3c[nH]c(=O)c(C)c3)cs2)cc1.
What is the InChIKey of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SGVANCQNYPZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-3-5-13(6-4-11)8-16-21-15(10-24-16)18(23)20-14-7-12(2)17(22)19-9-14/h3-7,9-10H,8H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75438651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).