6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxo-1λ6-thiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 333302
• Molecular Formular: C16H14FN3O4S2
• Molecular Mass: 395.4284632
• Monoisotopic Mass: 395.04097616
• SMILES: n12c(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)csc1nc(c2)c1c(F)cccc1
• Canonical SMILES: O[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1csc2n1cc(n2)c1ccccc1F
• InChI: InChI=1S/C16H14FN3O4S2/c17-10-4-2-1-3-9(10)11-5-20-13(6-25-16(20)19-11)15(22)18-12-7-26(23,24)8-14(12)21/h1-6,12,14,21H,7-8H2,(H,18,22)/t12-,14-/m1/s1
• InChIKey: XJTDGLNIQHZIIZ-TZMCWYRMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxo-1λ^6-thiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxo-1λ^6-thiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-fluorophenyl)-N-[(3S*,4S*)-4-hydroxy-1,1-dioxidotetrahydro-3-thienyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.683678
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.051881555
• LogD (pH = 7.4): 0.053118758
• Log P: 0.053134784
• Molar Refractivity: 103.5801 cm^3
• Polarizability: 37.014664 Å^3
• Polar Surface Area: 100.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.54
• LOG S: -3.4
• Polar Surface Area: 100.77 Å^2
• Rotatable Bonds: 3