6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

• ChemBase ID: 293264
• Molecular Formular: C7H3F3N2OS
• Molecular Mass: 220.1717296
• Monoisotopic Mass: 219.99181839
• SMILES: O=Cc1c(C(F)(F)F)nc2sccn12
• Canonical SMILES: O=Cc1c(nc2n1ccs2)C(F)(F)F
• InChI: InChI=1S/C7H3F3N2OS/c8-7(9,10)5-4(3-13)12-1-2-14-6(12)11-5/h1-3H
• InChIKey: UZNYVYBQRNSEGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• IUPAC Traditional name: 6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• Synonyms: 6-(Trifluoromethyl)imidazo[2,1-b]thiazole-5-carbaldehyde

Database IDs

• CAS Number: 564443-27-2
• MDL Number: MFCD05179682
• PubChem SID: 180678795
• PubChem CID: 3760850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5656953
• LogD (pH = 7.4): 1.5656999
• Log P: 1.5657
• Molar Refractivity: 55.5756 cm^3
• Polarizability: 15.45757 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%