[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine

• ChemBase ID: 306706
• Molecular Formular: C10H9FN2S
• Molecular Mass: 208.2552632
• Monoisotopic Mass: 208.04704752
• SMILES: n1c(csc1CN)c1ccc(cc1)F
• Canonical SMILES: NCc1scc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C10H9FN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
• InChIKey: DVIOACKZHUPVGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine
• IUPAC Traditional name: [4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine
• Synonyms: 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methanamine

Database IDs

• CAS Number: 643723-43-7
• MDL Number: MFCD05221836

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32547334
• LogD (pH = 7.4): 1.3683919
• Log P: 2.006751
• Molar Refractivity: 54.0474 cm^3
• Polarizability: 22.062317 Å^3
• Polar Surface Area: 38.91 Å^2