N-methyl-7-oxo-N-[2-(pyridin-2-yl)ethyl]-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

• ChemBase ID: 693072
• Molecular Formular: C15H14N4O2S
• Molecular Mass: 314.36226
• Monoisotopic Mass: 314.08374671
• SMILES: c1(n2c(nc(=O)c1)scc2)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: O=c1nc2sccn2c(c1)C(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C15H14N4O2S/c1-18(7-5-11-4-2-3-6-16-11)14(21)12-10-13(20)17-15-19(12)8-9-22-15/h2-4,6,8-10H,5,7H2,1H3
• InChIKey: HKKWLMZEKFWVAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-7-oxo-N-[2-(pyridin-2-yl)ethyl]-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-methyl-7-oxo-N-[2-(pyridin-2-yl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
• Synonyms: N-methyl-7-oxo-N-(2-pyridin-2-ylethyl)-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6338587
• LogD (pH = 7.4): 0.67724735
• Log P: 0.67783177
• Molar Refractivity: 85.5671 cm^3
• Polarizability: 32.161133 Å^3
• Polar Surface Area: 65.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.21
• LOG S: -1.32
• Polar Surface Area: 67.57 Å^2
• Rotatable Bonds: 4