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

C17H16FN5OS — CID 90506222

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)n1
InChIInChI=1S/C17H16FN5OS/c1-9-4-5-12(7-13(9)18)21-15(24)14-8-25-17(22-14)23-16-19-10(2)6-11(3)20-16/h4-8H,1-3H3,(H,21,24)(H,19,20,22,23)
InChIKeyPLXYPLMHAPUHOL-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.99
Rot. Bonds4

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

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 90506222) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID90506222
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)n1
InChIInChI=1S/C17H16FN5OS/c1-9-4-5-12(7-13(9)18)21-15(24)14-8-25-17(22-14)23-16-19-10(2)6-11(3)20-16/h4-8H,1-3H3,(H,21,24)(H,19,20,22,23)
InChIKeyPLXYPLMHAPUHOL-UHFFFAOYSA-N
XLogP3.99
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-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
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
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-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506292
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
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
N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26737028
2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335897

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 90506222) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PLXYPLMHAPUHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-9-4-5-12(7-13(9)18)21-15(24)14-8-25-17(22-14)23-16-19-10(2)6-11(3)20-16/h4-8H,1-3H3,(H,21,24)(H,19,20,22,23).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).