N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyrrolidin-1-yl)benzamide

• ChemBase ID: 824761
• Molecular Formular: C18H20N4OS
• Molecular Mass: 340.4426
• Monoisotopic Mass: 340.13578228
• SMILES: c12nc(cn1ccs2)C(NC(=O)c1c(N2CCCC2)cccc1)C
• Canonical SMILES: CC(c1cn2c(n1)scc2)NC(=O)c1ccccc1N1CCCC1
• InChI: InChI=1S/C18H20N4OS/c1-13(15-12-22-10-11-24-18(22)20-15)19-17(23)14-6-2-3-7-16(14)21-8-4-5-9-21/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,19,23)
• InChIKey: SSRLATVINUQPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyrrolidin-1-yl)benzamide
• Synonyms: N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.201813
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.747051
• LogD (pH = 7.4): 2.7560024
• Log P: 2.7561176
• Molar Refractivity: 108.0414 cm^3
• Polarizability: 35.863087 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.96
• LOG S: -4.21
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4