N-(2,3-dihydro-1H-inden-2-yl)-2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-propylacetamide

• ChemBase ID: 746339
• Molecular Formular: C19H21N3OS
• Molecular Mass: 339.45454
• Monoisotopic Mass: 339.14053331
• SMILES: c12nc(CC(=O)N(C3Cc4c(C3)cccc4)CCC)cn1ccs2
• Canonical SMILES: CCCN(C1Cc2c(C1)cccc2)C(=O)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C19H21N3OS/c1-2-7-22(17-10-14-5-3-4-6-15(14)11-17)18(23)12-16-13-21-8-9-24-19(21)20-16/h3-6,8-9,13,17H,2,7,10-12H2,1H3
• InChIKey: VZNYZLKNRSOCAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-propylacetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-propylacetamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-propylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.435852
• LogD (pH = 7.4): 3.449206
• Log P: 3.4493792
• Molar Refractivity: 107.6836 cm^3
• Polarizability: 36.769127 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.41
• LOG S: -3.44
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 5