3,5-dichlorophenyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonate

• ChemBase ID: 86651
• Molecular Formular: C11H5Cl3N2O3S2
• Molecular Mass: 383.658
• Monoisotopic Mass: 381.88071707
• SMILES: S(=O)(=O)(c1c(nc2n1ccs2)Cl)Oc1cc(cc(c1)Cl)Cl
• Canonical SMILES: Clc1cc(cc(c1)Cl)OS(=O)(=O)c1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C11H5Cl3N2O3S2/c12-6-3-7(13)5-8(4-6)19-21(17,18)10-9(14)15-11-16(10)1-2-20-11/h1-5H
• InChIKey: NISVWEWPAXWLCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichlorophenyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonate
• IUPAC Traditional name: 3,5-dichlorophenyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonate
• Synonyms: 3,5-dichlorophenyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulphonate

Database IDs

• MDL Number: MFCD00662777
• PubChem SID: 162073767
• PubChem CID: 2799723

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9229
• LogD (pH = 7.4): 3.9229
• Log P: 3.9229
• Molar Refractivity: 93.1238 cm^3
• Polarizability: 32.451443 Å^3
• Polar Surface Area: 60.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true