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

• ChemBase ID: 534874
• Molecular Formular: C18H20ClN3O2S
• Molecular Mass: 377.8883
• Monoisotopic Mass: 377.09647558
• SMILES: n12c(nc(c2)c2c(Cl)cccc2)scc1C(=O)NCCCOC(C)C
• Canonical SMILES: CC(OCCCNC(=O)c1csc2n1cc(n2)c1ccccc1Cl)C
• InChI: InChI=1S/C18H20ClN3O2S/c1-12(2)24-9-5-8-20-17(23)16-11-25-18-21-15(10-22(16)18)13-6-3-4-7-14(13)19/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,23)
• InChIKey: VJQHZQZILHWFJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.992985
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2096272
• LogD (pH = 7.4): 3.2110379
• Log P: 3.2110558
• Molar Refractivity: 112.0103 cm^3
• Polarizability: 39.394405 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.3
• LOG S: -6.29
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6