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

C16H14ClN5OS — CID 90506182

IUPACN-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C16H14ClN5OS/c1-9-7-10(2)19-15(18-9)22-16-21-13(8-24-16)14(23)20-12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,20,23)(H,18,19,21,22)
InChIKeyOGMZLUZLWBSHOL-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.20
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90506182) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90506182
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C16H14ClN5OS/c1-9-7-10(2)19-15(18-9)22-16-21-13(8-24-16)14(23)20-12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,20,23)(H,18,19,21,22)
InChIKeyOGMZLUZLWBSHOL-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
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-(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
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372046
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
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-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (CID 90506182) is N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is OGMZLUZLWBSHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-9-7-10(2)19-15(18-9)22-16-21-13(8-24-16)14(23)20-12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,20,23)(H,18,19,21,22).
What are the key properties of N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).