6-(4-chlorophenyl)-N-ethyl-N-(2-methylprop-2-en-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 736795
• Molecular Formular: C18H18ClN3OS
• Molecular Mass: 359.87302
• Monoisotopic Mass: 359.08591089
• SMILES: n12c(C(=O)N(CC(=C)C)CC)csc1nc(c2)c1ccc(cc1)Cl
• Canonical SMILES: CCN(C(=O)c1csc2n1cc(n2)c1ccc(cc1)Cl)CC(=C)C
• InChI: InChI=1S/C18H18ClN3OS/c1-4-21(9-12(2)3)17(23)16-11-24-18-20-15(10-22(16)18)13-5-7-14(19)8-6-13/h5-8,10-11H,2,4,9H2,1,3H3
• InChIKey: PICSRANCHOYLLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-chlorophenyl)-N-ethyl-N-(2-methylprop-2-en-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-chlorophenyl)-N-ethyl-N-(2-methylprop-2-en-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(4-chlorophenyl)-N-ethyl-N-(2-methyl-2-propen-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9781885
• LogD (pH = 7.4): 3.9797635
• Log P: 3.9797838
• Molar Refractivity: 110.024 cm^3
• Polarizability: 38.43365 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: 3
• H Donor: 0
• Log P: 4.18
• LOG S: -5.38
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4