4-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 807439
• Molecular Formular: C10H9FN2S
• Molecular Mass: 208.2552632
• Monoisotopic Mass: 208.04704752
• SMILES: Nc1scc(n1)c1cc(cc(c1)C)F
• Canonical SMILES: Nc1scc(n1)c1cc(C)cc(c1)F
• InChI: InChI=1S/C10H9FN2S/c1-6-2-7(4-8(11)3-6)9-5-14-10(12)13-9/h2-5H,1H3,(H2,12,13)
• InChIKey: DXABQXSLONYADI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
• Synonyms: 4-(3-FLUORO-5-METHYL-PHENYL)-THIAZOL-2-YLAMINE

CALCULATED PROPERTIES

• Acid pKa: 16.693851
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1614053
• LogD (pH = 7.4): 3.1763673
• Log P: 3.1765616
• Molar Refractivity: 55.4619 cm^3
• Polarizability: 21.596966 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%