6-(4-bromophenyl)-2H,3H-imidazo[2,1-b][1,3]thiazole

• ChemBase ID: 311355
• Molecular Formular: C11H9BrN2S
• Molecular Mass: 281.17156
• Monoisotopic Mass: 279.9669813
• SMILES: c12nc(cn1CCS2)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1cn2c(n1)SCC2
• InChI: InChI=1S/C11H9BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,7H,5-6H2
• InChIKey: GPJBSEDJRPMPHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-bromophenyl)-2H,3H-imidazo[2,1-b][1,3]thiazole
• IUPAC Traditional name: 6-(4-bromophenyl)-2H,3H-imidazo[2,1-b][1,3]thiazole
• Synonyms: 6-(4-bromophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole

Database IDs

• CAS Number: 35181-52-3
• MDL Number: MFCD00268935

CALCULATED PROPERTIES

• Log P: 3.7615368
• Molar Refractivity: 66.7629 cm^3
• Polarizability: 26.716913 Å^3
• Polar Surface Area: 17.82 Å^2
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7406056
• LogD (pH = 7.4): 3.7612667