2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide

C16H14N4OS — CID 75415495

IUPAC2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
SMILESCc1csc(N(C(=O)c2ccnc(C)n2)c2ccccc2)n1
InChIInChI=1S/C16H14N4OS/c1-11-10-22-16(18-11)20(13-6-4-3-5-7-13)15(21)14-8-9-17-12(2)19-14/h3-10H,1-2H3
InChIKeyGSFHOZCDGJPNOE-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.53
Rot. Bonds3

About 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide (PubChem CID 75415495) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
PubChem CID75415495
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
SMILESCc1csc(N(C(=O)c2ccnc(C)n2)c2ccccc2)n1
InChIInChI=1S/C16H14N4OS/c1-11-10-22-16(18-11)20(13-6-4-3-5-7-13)15(21)14-8-9-17-12(2)19-14/h3-10H,1-2H3
InChIKeyGSFHOZCDGJPNOE-UHFFFAOYSA-N
XLogP3.53
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
CID 52895835
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
CID 43032454
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
CID 99807622
2,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 43024651
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819481
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
CID 78778238
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16593120
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
CID 51180502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide (CID 75415495) is 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide is Cc1csc(N(C(=O)c2ccnc(C)n2)c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is GSFHOZCDGJPNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-10-22-16(18-11)20(13-6-4-3-5-7-13)15(21)14-8-9-17-12(2)19-14/h3-10H,1-2H3.
What are the key properties of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide?
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 75415495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).