4-(4-fluorophenyl)-2-hydrazinyl-1,3-thiazole

• ChemBase ID: 115302
• Molecular Formular: C9H8FN3S
• Molecular Mass: 209.2433232
• Monoisotopic Mass: 209.04229649
• SMILES: n1c(scc1c1ccc(cc1)F)NN
• Canonical SMILES: NNc1scc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C9H8FN3S/c10-7-3-1-6(2-4-7)8-5-14-9(12-8)13-11/h1-5H,11H2,(H,12,13)
• InChIKey: SEULEDUVYOUXCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-2-hydrazinyl-1,3-thiazole
• IUPAC Traditional name: 4-(4-fluorophenyl)-2-hydrazinyl-1,3-thiazole
• Synonyms: 4-(4-fluorophenyl)-2-hydrazino-1,3-thiazole

Database IDs

• MDL Number: MFCD05207335
• PubChem SID: 162101279
• PubChem CID: 4738275

CALCULATED PROPERTIES

• Acid pKa: 4.132316
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5648055
• LogD (pH = 7.4): 2.5827732
• Log P: 2.883709
• Molar Refractivity: 55.427 cm^3
• Polarizability: 21.263926 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.68

Product Information

• Purity: 95+%