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

• ChemBase ID: 310591
• Molecular Formular: C11H7IN2S
• Molecular Mass: 326.15615
• Monoisotopic Mass: 325.93746723
• SMILES: c12nc(cn1ccs2)c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)c1cn2c(n1)scc2
• InChI: InChI=1S/C11H7IN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-7H
• InChIKey: YKUFKEFHTRAZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 118001-66-4
• MDL Number: MFCD00452488

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7504132
• LogD (pH = 7.4): 3.7552094
• Log P: 3.755271
• Molar Refractivity: 81.6391 cm^3
• Polarizability: 27.95878 Å^3
• Polar Surface Area: 17.3 Å^2