N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 830095
• Molecular Formular: C15H15N5OS
• Molecular Mass: 313.3775
• Monoisotopic Mass: 313.09973113
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCc1nc2n(c1)CCS2
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C15H15N5OS/c1-10-7-20-8-11(2-3-13(20)17-10)14(21)16-6-12-9-19-4-5-22-15(19)18-12/h2-3,7-9H,4-6H2,1H3,(H,16,21)
• InChIKey: OHSRCMHWTKDJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.085504
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.060155142
• LogD (pH = 7.4): 0.7361186
• Log P: 0.75764376
• Molar Refractivity: 86.9113 cm^3
• Polarizability: 32.0958 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.66
• LOG S: -2.05
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 3