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

• ChemBase ID: 336199
• Molecular Formular: C17H15N5O3S
• Molecular Mass: 369.3977
• Monoisotopic Mass: 369.08956037
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCc1nnc(o1)C
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)NCc1nnc(o1)C
• InChI: InChI=1S/C17H15N5O3S/c1-10-20-21-15(25-10)7-18-16(23)13-9-26-17-19-12(8-22(13)17)11-5-3-4-6-14(11)24-2/h3-6,8-9H,7H2,1-2H3,(H,18,23)
• InChIKey: LZZFSHJJFXAEIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.588873
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.56380624
• LogD (pH = 7.4): 0.56510013
• Log P: 0.56511664
• Molar Refractivity: 107.8983 cm^3
• Polarizability: 36.6478 Å^3
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.85
• LOG S: -4.8
• Polar Surface Area: 94.55 Å^2
• Rotatable Bonds: 4