4-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}sulfonyl)-2-(trifluoromethyl)morpholine

• ChemBase ID: 441254
• Molecular Formular: C10H9ClF3N3O3S2
• Molecular Mass: 375.7749696
• Monoisotopic Mass: 374.9725955
• SMILES: c1(S(=O)(=O)N2CC(C(F)(F)F)OCC2)n2c(nc1Cl)scc2
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)N1CCOC(C1)C(F)(F)F)ccs2
• InChI: InChI=1S/C10H9ClF3N3O3S2/c11-7-8(17-2-4-21-9(17)15-7)22(18,19)16-1-3-20-6(5-16)10(12,13)14/h2,4,6H,1,3,5H2
• InChIKey: JRTVQGCDHFAROP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}sulfonyl)-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-{6-chloroimidazo[2,1-b][1,3]thiazol-5-ylsulfonyl}-2-(trifluoromethyl)morpholine
• Synonyms: 6-chloro-5-{[2-(trifluoromethyl)morpholin-4-yl]sulfonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.556509
• LogD (pH = 7.4): 1.5565094
• Log P: 1.5565094
• Molar Refractivity: 84.7779 cm^3
• Polarizability: 28.344536 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.19
• LOG S: -4.66
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 2