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

• ChemBase ID: 258206
• Molecular Formular: C10H9FN2OS
• Molecular Mass: 224.2546632
• Monoisotopic Mass: 224.04196214
• SMILES: c1(nc(sc1)N)c1c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1c1csc(n1)N)F
• InChI: InChI=1S/C10H9FN2OS/c1-14-9-3-2-6(11)4-7(9)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
• InChIKey: AJSHECLHRCNMOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
• Synonyms: 4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine

Database IDs

• CAS Number: 715-89-9
• MDL Number: MFCD02663963
• PubChem SID: 164314116
• PubChem CID: 3799990

CALCULATED PROPERTIES

• Acid pKa: 16.634089
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4932234
• LogD (pH = 7.4): 2.5053124
• Log P: 2.505469
• Molar Refractivity: 56.8839 cm^3
• Polarizability: 22.378347 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%