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

• ChemBase ID: 288884
• Molecular Formular: C3H3FN2S
• Molecular Mass: 118.1327232
• Monoisotopic Mass: 118.00009733
• SMILES: Nc1ncc(F)s1
• Canonical SMILES: Fc1cnc(s1)N
• InChI: InChI=1S/C3H3FN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
• InChIKey: HUUPNPWVDMNTAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 64588-82-5
• MDL Number: MFCD12828103
• PubChem SID: 180674415
• PubChem CID: 10080385

CALCULATED PROPERTIES

• Acid pKa: 16.44355
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7945622
• LogD (pH = 7.4): 0.79604167
• Log P: 0.79606056
• Molar Refractivity: 24.8164 cm^3
• Polarizability: 9.145306 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%