N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 634970
• Molecular Formular: C19H16N4OS
• Molecular Mass: 348.42154
• Monoisotopic Mass: 348.10448215
• SMILES: c1(n2c(nc1)cccc2)C(=O)N(Cc1nc(sc1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)c1cnc2n1cccc2)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C19H16N4OS/c1-22(19(24)16-11-20-17-9-5-6-10-23(16)17)12-15-13-25-18(21-15)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
• InChIKey: BQXKNOYLBGFBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3853848
• LogD (pH = 7.4): 2.4659
• Log P: 2.467051
• Molar Refractivity: 109.0861 cm^3
• Polarizability: 37.44812 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.05
• LOG S: -4.34
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4