6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 314342
• Molecular Formular: C19H19FN4O2S
• Molecular Mass: 386.4431632
• Monoisotopic Mass: 386.12127509
• SMILES: n12c(nc(c2)c2c(F)cccc2)scc1C(=O)NCCCN1C(=O)CCC1
• Canonical SMILES: O=C1CCCN1CCCNC(=O)c1csc2n1cc(n2)c1ccccc1F
• InChI: InChI=1S/C19H19FN4O2S/c20-14-6-2-1-5-13(14)15-11-24-16(12-27-19(24)22-15)18(26)21-8-4-10-23-9-3-7-17(23)25/h1-2,5-6,11-12H,3-4,7-10H2,(H,21,26)
• InChIKey: JCGBTKZYSNCZLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-fluorophenyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.976518
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4945855
• LogD (pH = 7.4): 1.4958315
• Log P: 1.4958475
• Molar Refractivity: 112.3966 cm^3
• Polarizability: 38.84054 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.91
• LOG S: -4.74
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 6