N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(propylsulfanyl)acetamide

• ChemBase ID: 587288
• Molecular Formular: C12H19N3OS
• Molecular Mass: 253.36376
• Monoisotopic Mass: 253.12488324
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CSCCC
• Canonical SMILES: CCCSCC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H19N3OS/c1-2-7-17-9-12(16)14-11-8-13-10-5-3-4-6-15(10)11/h8H,2-7,9H2,1H3,(H,14,16)
• InChIKey: OAPLPQWLMAAZGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(propylsulfanyl)acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(propylsulfanyl)acetamide
• Synonyms: 2-(propylthio)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.548593
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9125163
• LogD (pH = 7.4): 1.5591716
• Log P: 1.5892166
• Molar Refractivity: 71.7648 cm^3
• Polarizability: 27.09936 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.98
• LOG S: -2.74
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5