6-(2,5-dimethylphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 313989
• Molecular Formular: C18H17N5O2S
• Molecular Mass: 367.42488
• Monoisotopic Mass: 367.11029581
• SMILES: n12c(nc(c2)c2c(ccc(c2)C)C)scc1C(=O)NCc1nnc(o1)C
• Canonical SMILES: Cc1ccc(c(c1)c1nc2n(c1)c(cs2)C(=O)NCc1nnc(o1)C)C
• InChI: InChI=1S/C18H17N5O2S/c1-10-4-5-11(2)13(6-10)14-8-23-15(9-26-18(23)20-14)17(24)19-7-16-22-21-12(3)25-16/h4-6,8-9H,7H2,1-3H3,(H,19,24)
• InChIKey: XWPYFTFMYZYYSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.616138
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7480338
• LogD (pH = 7.4): 1.7496105
• Log P: 1.7496307
• Molar Refractivity: 111.5175 cm^3
• Polarizability: 37.62084 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.09
• LOG S: -5.81
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 4