N-{3-[(furan-2-ylmethyl)sulfanyl]propyl}-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide

• ChemBase ID: 478405
• Molecular Formular: C15H17N3O2S2
• Molecular Mass: 335.44438
• Monoisotopic Mass: 335.0762188
• SMILES: c12nc(cn1ccs2)CC(=O)NCCCSCc1occc1
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NCCCSCc1ccco1
• InChI: InChI=1S/C15H17N3O2S2/c19-14(9-12-10-18-5-8-22-15(18)17-12)16-4-2-7-21-11-13-3-1-6-20-13/h1,3,5-6,8,10H,2,4,7,9,11H2,(H,16,19)
• InChIKey: ULMGGYATTFIBJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(furan-2-ylmethyl)sulfanyl]propyl}-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• IUPAC Traditional name: N-{3-[(furan-2-ylmethyl)sulfanyl]propyl}-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• Synonyms: N-{3-[(2-furylmethyl)thio]propyl}-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.869879
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7532871
• LogD (pH = 7.4): 1.76668
• Log P: 1.7668535
• Molar Refractivity: 100.2109 cm^3
• Polarizability: 33.78977 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.38
• LOG S: -3.68
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 8