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

• ChemBase ID: 250306
• Molecular Formular: C11H10FN3OS
• Molecular Mass: 251.2800032
• Monoisotopic Mass: 251.05286118
• SMILES: n1c(scc1CC(=O)NN)c1ccc(cc1)F
• Canonical SMILES: NNC(=O)Cc1csc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)11-14-9(6-17-11)5-10(16)15-13/h1-4,6H,5,13H2,(H,15,16)
• InChIKey: RDHDVMLJEUVJHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07344320
• PubChem SID: 164306216
• PubChem CID: 7130892

CALCULATED PROPERTIES

• Acid pKa: 11.678674
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7177703
• LogD (pH = 7.4): 1.7196461
• Log P: 1.719691
• Molar Refractivity: 73.8263 cm^3
• Polarizability: 24.39888 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.736

Product Information

• Purity: 95%