N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 546896
• Molecular Formular: C19H22N4OS
• Molecular Mass: 354.46918
• Monoisotopic Mass: 354.15143234
• SMILES: n12c(C(=O)N(CC3N(CCC3)C)C)csc1nc(c2)c1ccccc1
• Canonical SMILES: CN1CCCC1CN(C(=O)c1csc2n1cc(n2)c1ccccc1)C
• InChI: InChI=1S/C19H22N4OS/c1-21-10-6-9-15(21)11-22(2)18(24)17-13-25-19-20-16(12-23(17)19)14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3
• InChIKey: QKONHNPYBVCJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-methyl-N-[(1-methyl-2-pyrrolidinyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.23328325
• LogD (pH = 7.4): 1.5366118
• Log P: 2.528529
• Molar Refractivity: 112.2562 cm^3
• Polarizability: 39.452206 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.04
• LOG S: -3.1
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4