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

• ChemBase ID: 686868
• Molecular Formular: C20H18N4OS
• Molecular Mass: 362.44812
• Monoisotopic Mass: 362.12013222
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC(c1nc(sc1)C)C
• Canonical SMILES: Cc1scc(n1)C(NC(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C
• InChI: InChI=1S/C20H18N4OS/c1-13(18-12-26-14(2)22-18)21-20(25)16-8-9-19-23-17(11-24(19)10-16)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,25)
• InChIKey: VEATZRNJWURHPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.13001
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8326666
• LogD (pH = 7.4): 3.0204587
• Log P: 3.0235083
• Molar Refractivity: 102.9091 cm^3
• Polarizability: 39.87645 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.17
• LOG S: -4.55
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4