N-(1,3-benzothiazol-2-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 817502
• Molecular Formular: C18H16N4OS
• Molecular Mass: 336.41084
• Monoisotopic Mass: 336.10448215
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1nc2c(s1)cccc2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(Cc1nc2c(s1)cccc2)C
• InChI: InChI=1S/C18H16N4OS/c1-12-7-8-16-19-14(10-22(16)9-12)18(23)21(2)11-17-20-13-5-3-4-6-15(13)24-17/h3-10H,11H2,1-2H3
• InChIKey: PRSLYZISGFUIQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-benzothiazol-2-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(1,3-benzothiazol-2-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(1,3-benzothiazol-2-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.8857262
• LogD (pH = 7.4): 2.894565
• Log P: 2.894679
• Molar Refractivity: 94.4877 cm^3
• Polarizability: 36.459244 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.77
• LOG S: -5.13
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3