2-bromo-4-(3-fluoro-5-methylphenyl)-1,3-thiazole

• ChemBase ID: 807460
• Molecular Formular: C10H7BrFNS
• Molecular Mass: 272.1366832
• Monoisotopic Mass: 270.94666045
• SMILES: s1c(nc(c1)c1cc(cc(c1)C)F)Br
• Canonical SMILES: Brc1scc(n1)c1cc(C)cc(c1)F
• InChI: InChI=1S/C10H7BrFNS/c1-6-2-7(4-8(12)3-6)9-5-14-10(11)13-9/h2-5H,1H3
• InChIKey: UWBQDPGQOWEFCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(3-fluoro-5-methylphenyl)-1,3-thiazole
• IUPAC Traditional name: 2-bromo-4-(3-fluoro-5-methylphenyl)-1,3-thiazole
• Synonyms: 2-BROMO-4-(3-FLUORO-5-METHYL-PHENYL)-THIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.385304
• LogD (pH = 7.4): 4.385305
• Log P: 4.385305
• Molar Refractivity: 58.913 cm^3
• Polarizability: 23.389864 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%