N-[2-(3-phenylpyrrolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 630934
• Molecular Formular: C18H20N4OS
• Molecular Mass: 340.4426
• Monoisotopic Mass: 340.13578228
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCN1CC(CC1)c1ccccc1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)NCCN1CCC(C1)c1ccccc1
• InChI: InChI=1S/C18H20N4OS/c23-17(16-13-22-10-11-24-18(22)20-16)19-7-9-21-8-6-15(12-21)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H,19,23)
• InChIKey: UTUDASGCFYKFHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-phenylpyrrolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[2-(3-phenylpyrrolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[2-(3-phenylpyrrolidin-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242995
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.49680728
• LogD (pH = 7.4): 1.2768824
• Log P: 2.1766362
• Molar Refractivity: 107.2422 cm^3
• Polarizability: 36.180645 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.99
• LOG S: -4.24
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5