2-{imidazo[1,2-a]pyridin-3-yl}-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

• ChemBase ID: 518607
• Molecular Formular: C20H18N4OS
• Molecular Mass: 362.44812
• Monoisotopic Mass: 362.12013222
• SMILES: n12c(CC(=O)N(Cc3nc(sc3)c3ccccc3)C)cnc1cccc2
• Canonical SMILES: CN(C(=O)Cc1cnc2n1cccc2)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C20H18N4OS/c1-23(13-16-14-26-20(22-16)15-7-3-2-4-8-15)19(25)11-17-12-21-18-9-5-6-10-24(17)18/h2-10,12,14H,11,13H2,1H3
• InChIKey: PSCQBHPXGSURAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-3-yl}-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-3-yl}-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• Synonyms: 2-imidazo[1,2-a]pyridin-3-yl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7700429
• LogD (pH = 7.4): 2.417124
• Log P: 2.4472165
• Molar Refractivity: 113.1375 cm^3
• Polarizability: 39.498104 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -4.34
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 5