6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C16H12F2N4OS — CID 24820775

IUPAC6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cc(F)cc(F)c3)nc(C)n2)n1
InChIInChI=1S/C16H12F2N4OS/c1-8-7-24-16(19-8)22-15(23)14-6-13(20-9(2)21-14)10-3-11(17)5-12(18)4-10/h3-7H,1-2H3,(H,19,22,23)
InChIKeyVIDCPNJXFDKXGO-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.75
Rot. Bonds3

About 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 24820775) has the molecular formula C16H12F2N4OS and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID24820775
Molecular FormulaC16H12F2N4OS
Molecular Weight346.36 g/mol
Exact Mass346.07
IUPAC Name6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cc(F)cc(F)c3)nc(C)n2)n1
InChIInChI=1S/C16H12F2N4OS/c1-8-7-24-16(19-8)22-15(23)14-6-13(20-9(2)21-14)10-3-11(17)5-12(18)4-10/h3-7H,1-2H3,(H,19,22,23)
InChIKeyVIDCPNJXFDKXGO-UHFFFAOYSA-N
XLogP3.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 24820775) is 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is Cc1csc(NC(=O)c2cc(-c3cc(F)cc(F)c3)nc(C)n2)n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is VIDCPNJXFDKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4OS/c1-8-7-24-16(19-8)22-15(23)14-6-13(20-9(2)21-14)10-3-11(17)5-12(18)4-10/h3-7H,1-2H3,(H,19,22,23).
What are the key properties of 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 24820775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).