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

• ChemBase ID: 317887
• Molecular Formular: C20H20N4O2S2
• Molecular Mass: 412.5284
• Monoisotopic Mass: 412.1027679
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCCCc1c(ncs1)C
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)NCCCc1scnc1C
• InChI: InChI=1S/C20H20N4O2S2/c1-13-18(28-12-22-13)8-5-9-21-19(25)16-11-27-20-23-15(10-24(16)20)14-6-3-4-7-17(14)26-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,21,25)
• InChIKey: CUHUSVLEGVEUMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.98835
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.041618
• LogD (pH = 7.4): 3.043257
• Log P: 3.043278
• Molar Refractivity: 122.299 cm^3
• Polarizability: 42.9485 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.35
• LOG S: -6.52
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6