N-{1-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidin-3-yl}acetamide

• ChemBase ID: 566939
• Molecular Formular: C18H17FN4O2S
• Molecular Mass: 372.4165832
• Monoisotopic Mass: 372.10562502
• SMILES: n12c(C(=O)N3CC(NC(=O)C)CC3)csc1nc(c2)c1cc(F)ccc1
• Canonical SMILES: CC(=O)NC1CCN(C1)C(=O)c1csc2n1cc(n2)c1cccc(c1)F
• InChI: InChI=1S/C18H17FN4O2S/c1-11(24)20-14-5-6-22(8-14)17(25)16-10-26-18-21-15(9-23(16)18)12-3-2-4-13(19)7-12/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,20,24)
• InChIKey: MVNFHOMNKGEXGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidin-3-yl}acetamide
• IUPAC Traditional name: N-{1-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidin-3-yl}acetamide
• Synonyms: N-(1-{[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]carbonyl}pyrrolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.028258
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1555239
• LogD (pH = 7.4): 1.1570668
• Log P: 1.1570866
• Molar Refractivity: 107.2025 cm^3
• Polarizability: 37.003418 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.17
• LOG S: -2.91
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 3