6-(2-methoxyphenyl)-N-[3-(propan-2-yloxy)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 326372
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCCCOC(C)C
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)NCCCOC(C)C
• InChI: InChI=1S/C19H23N3O3S/c1-13(2)25-10-6-9-20-18(23)16-12-26-19-21-15(11-22(16)19)14-7-4-5-8-17(14)24-3/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,20,23)
• InChIKey: WPIPKUZCZIAYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)-N-[3-(propan-2-yloxy)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-(3-isopropoxypropyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-(3-isopropoxypropyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.987341
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4480176
• LogD (pH = 7.4): 2.4493232
• Log P: 2.4493399
• Molar Refractivity: 113.6687 cm^3
• Polarizability: 40.02917 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.29
• LOG S: -5.77
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 6