N-[2-(4-fluorophenyl)ethyl]-2-[(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]acetamide

• ChemBase ID: 715580
• Molecular Formular: C17H19FN4OS
• Molecular Mass: 346.4223632
• Monoisotopic Mass: 346.12636047
• SMILES: c12nc(cn1ccs2)C(NCC(=O)NCCc1ccc(F)cc1)C
• Canonical SMILES: O=C(CNC(c1cn2c(n1)scc2)C)NCCc1ccc(cc1)F
• InChI: InChI=1S/C17H19FN4OS/c1-12(15-11-22-8-9-24-17(22)21-15)20-10-16(23)19-7-6-13-2-4-14(18)5-3-13/h2-5,8-9,11-12,20H,6-7,10H2,1H3,(H,19,23)
• InChIKey: UDTYDHFVOSNKDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorophenyl)ethyl]-2-[(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]acetamide
• IUPAC Traditional name: N-[2-(4-fluorophenyl)ethyl]-2-[(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)amino]acetamide
• Synonyms: N-[2-(4-fluorophenyl)ethyl]-2-[(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.549357
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4138113
• LogD (pH = 7.4): 1.8625336
• Log P: 2.0523887
• Molar Refractivity: 103.1196 cm^3
• Polarizability: 35.03714 Å^3
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.99
• LOG S: -3.43
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 7