N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide

C18H17N5O2S — CID 90506196

IUPACN-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C18H17N5O2S/c1-10-8-11(2)20-17(19-10)23-18-22-15(9-26-18)16(25)21-14-6-4-13(5-7-14)12(3)24/h4-9H,1-3H3,(H,21,25)(H,19,20,22,23)
InChIKeyIWMIABHNNGQKIV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.75
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide

N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90506196) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90506196
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C18H17N5O2S/c1-10-8-11(2)20-17(19-10)23-18-22-15(9-26-18)16(25)21-14-6-4-13(5-7-14)12(3)24/h4-9H,1-3H3,(H,21,25)(H,19,20,22,23)
InChIKeyIWMIABHNNGQKIV-UHFFFAOYSA-N
XLogP3.75
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-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

N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 90506222
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1H-indazol-6-yl)-1,3-thiazole-4-carboxamide
CID 90506306
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506292
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90506101

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (CID 90506196) is N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is IWMIABHNNGQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-8-11(2)20-17(19-10)23-18-22-15(9-26-18)16(25)21-14-6-4-13(5-7-14)12(3)24/h4-9H,1-3H3,(H,21,25)(H,19,20,22,23).
What are the key properties of N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).