N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 548188
• Molecular Formular: C15H17N5OS
• Molecular Mass: 315.39338
• Monoisotopic Mass: 315.11538119
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCCCc1nc(sc1)N
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCCCc1csc(n1)N
• InChI: InChI=1S/C15H17N5OS/c1-10-4-5-13-19-12(8-20(13)7-10)14(21)17-6-2-3-11-9-22-15(16)18-11/h4-5,7-9H,2-3,6H2,1H3,(H2,16,18)(H,17,21)
• InChIKey: YBVACRANIMYKFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.67386
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5075164
• LogD (pH = 7.4): 1.5779116
• Log P: 1.5788733
• Molar Refractivity: 87.5076 cm^3
• Polarizability: 31.952436 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.65
• LOG S: -2.91
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 5