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

• ChemBase ID: 703178
• Molecular Formular: C18H17FN4O2S
• Molecular Mass: 372.4165832
• Monoisotopic Mass: 372.10562502
• SMILES: c12nc(cn1ccs2)CC(=O)NC1CC(=O)N(C1)Cc1cc(F)ccc1
• Canonical SMILES: O=C(Cc1cn2c(n1)scc2)NC1CC(=O)N(C1)Cc1cccc(c1)F
• InChI: InChI=1S/C18H17FN4O2S/c19-13-3-1-2-12(6-13)9-23-11-15(8-17(23)25)20-16(24)7-14-10-22-4-5-26-18(22)21-14/h1-6,10,15H,7-9,11H2,(H,20,24)
• InChIKey: OGMVHOKCFGAZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.359238
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3309228
• LogD (pH = 7.4): 1.344233
• Log P: 1.3444055
• Molar Refractivity: 106.0967 cm^3
• Polarizability: 35.90089 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: 1.91
• LOG S: -3.86
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5