N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide

• ChemBase ID: 723590
• Molecular Formular: C16H22N4O2S
• Molecular Mass: 334.43648
• Monoisotopic Mass: 334.14634696
• SMILES: c12nc(cn1ccs2)CC(=O)NC1CC(=O)N(C1)CC(C)(C)C
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NC1CC(=O)N(C1)CC(C)(C)C
• InChI: InChI=1S/C16H22N4O2S/c1-16(2,3)10-20-9-12(7-14(20)22)17-13(21)6-11-8-19-4-5-23-15(19)18-11/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,21)
• InChIKey: BFFIRTDSNQVXJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• IUPAC Traditional name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• Synonyms: N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.159424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0860747
• LogD (pH = 7.4): 1.0993624
• Log P: 1.0995345
• Molar Refractivity: 99.41 cm^3
• Polarizability: 33.96658 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.12
• LOG S: -2.74
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5