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

• ChemBase ID: 403551
• Molecular Formular: C20H19N5OS
• Molecular Mass: 377.46276
• Monoisotopic Mass: 377.13103125
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCCc1nc(sc1)N
• Canonical SMILES: Nc1scc(n1)CCCNC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H19N5OS/c21-20-23-16(13-27-20)7-4-10-22-19(26)15-8-9-18-24-17(12-25(18)11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H2,21,23)(H,22,26)
• InChIKey: GSBJBPNWOFQXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242444
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.459146
• LogD (pH = 7.4): 2.708767
• Log P: 2.7126772
• Molar Refractivity: 107.6026 cm^3
• Polarizability: 41.089294 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.64
• LOG S: -4.21
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 6