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

C11H9F3N4OS — CID 146078378

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ncc(C)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4OS/c1-5-4-15-10(20-5)18-9(19)7-3-8(11(12,13)14)17-6(2)16-7/h3-4H,1-2H3,(H,15,18,19)
InChIKeyMBDFRPOHBDIBEX-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.82
Rot. Bonds2

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

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 146078378) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID146078378
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ncc(C)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4OS/c1-5-4-15-10(20-5)18-9(19)7-3-8(11(12,13)14)17-6(2)16-7/h3-4H,1-2H3,(H,15,18,19)
InChIKeyMBDFRPOHBDIBEX-UHFFFAOYSA-N
XLogP2.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 146078378) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ncc(C)s2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is MBDFRPOHBDIBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c1-5-4-15-10(20-5)18-9(19)7-3-8(11(12,13)14)17-6(2)16-7/h3-4H,1-2H3,(H,15,18,19).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 146078378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).