5-fluoro-4-methyl-1,3-thiazol-2-amine

• ChemBase ID: 243897
• Molecular Formular: C4H5FN2S
• Molecular Mass: 132.1593032
• Monoisotopic Mass: 132.01574739
• SMILES: s1c(nc(c1F)C)N
• Canonical SMILES: Nc1nc(c(s1)F)C
• InChI: InChI=1S/C4H5FN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
• InChIKey: QBDZOLWTYRZKBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18816988
• PubChem SID: 164299807
• PubChem CID: 45121649

CALCULATED PROPERTIES

• Log P: 0.92743075
• Molar Refractivity: 29.4079 cm^3
• Polarizability: 10.861129 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.56744
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9261905
• LogD (pH = 7.4): 0.9274151

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.911

Product Information

• Purity: 95%