6-(2-chlorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 658570
• Molecular Formular: C17H14ClN5O3S
• Molecular Mass: 403.84276
• Monoisotopic Mass: 403.05058801
• SMILES: n12c(nc(c2)c2c(Cl)cccc2)scc1C(=O)NCCOc1nonc1C
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1Cl)NCCOc1nonc1C
• InChI: InChI=1S/C17H14ClN5O3S/c1-10-16(22-26-21-10)25-7-6-19-15(24)14-9-27-17-20-13(8-23(14)17)11-4-2-3-5-12(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,24)
• InChIKey: FTHMGAPPRLEERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-chlorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-chlorophenyl)-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.96214
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3819978
• LogD (pH = 7.4): 2.3833933
• Log P: 2.3834112
• Molar Refractivity: 112.7618 cm^3
• Polarizability: 38.58867 Å^3
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.69
• LOG S: -5.97
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 6