2-{[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}-N-cyclopropylacetamide

• ChemBase ID: 410462
• Molecular Formular: C17H15ClN4O2S
• Molecular Mass: 374.8446
• Monoisotopic Mass: 374.06042442
• SMILES: n12c(nc(c2)c2c(Cl)cccc2)scc1C(=O)NCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CNC(=O)c1csc2n1cc(n2)c1ccccc1Cl
• InChI: InChI=1S/C17H15ClN4O2S/c18-12-4-2-1-3-11(12)13-8-22-14(9-25-17(22)21-13)16(24)19-7-15(23)20-10-5-6-10/h1-4,8-10H,5-7H2,(H,19,24)(H,20,23)
• InChIKey: AJELRXGGWVHTET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}-N-cyclopropylacetamide
• IUPAC Traditional name: 2-{[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}-N-cyclopropylacetamide
• Synonyms: 6-(2-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.310329
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7835544
• LogD (pH = 7.4): 1.784952
• Log P: 1.7849699
• Molar Refractivity: 106.9487 cm^3
• Polarizability: 37.37392 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.77
• LOG S: -4.3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5