N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 420996
• Molecular Formular: C21H17N5OS
• Molecular Mass: 387.45758
• Monoisotopic Mass: 387.11538119
• SMILES: n12c(C(=O)N(Cc3n4c(nc3)cccc4)C)csc1nc(c2)c1ccccc1
• Canonical SMILES: CN(C(=O)c1csc2n1cc(n2)c1ccccc1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C21H17N5OS/c1-24(12-16-11-22-19-9-5-6-10-25(16)19)20(27)18-14-28-21-23-17(13-26(18)21)15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3
• InChIKey: BVTLKJFGFDZQFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8347814
• LogD (pH = 7.4): 2.4494846
• Log P: 2.475098
• Molar Refractivity: 121.3944 cm^3
• Polarizability: 41.993374 Å^3
• Polar Surface Area: 54.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.02
• LOG S: -5.29
• Polar Surface Area: 54.91 Å^2
• Rotatable Bonds: 4