6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide

C12H12F2N4OS — CID 165431658

IUPAC6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2nc(C)c(C)s2)cc(C(F)F)n1
InChIInChI=1S/C12H12F2N4OS/c1-5-6(2)20-12(15-5)18-11(19)9-4-8(10(13)14)16-7(3)17-9/h4,10H,1-3H3,(H,15,18,19)
InChIKeyNGHFDXQSPSNIOM-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.05
Rot. Bonds3

About 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide

6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 165431658) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID165431658
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2nc(C)c(C)s2)cc(C(F)F)n1
InChIInChI=1S/C12H12F2N4OS/c1-5-6(2)20-12(15-5)18-11(19)9-4-8(10(13)14)16-7(3)17-9/h4,10H,1-3H3,(H,15,18,19)
InChIKeyNGHFDXQSPSNIOM-UHFFFAOYSA-N
XLogP3.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17191166
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47138249
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19513753
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54877601

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide (CID 165431658) is 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2nc(C)c(C)s2)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is NGHFDXQSPSNIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c1-5-6(2)20-12(15-5)18-11(19)9-4-8(10(13)14)16-7(3)17-9/h4,10H,1-3H3,(H,15,18,19).
What are the key properties of 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide?
6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 165431658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).