4-(4-fluorophenyl)-1,3-thiazol-5-amine

• ChemBase ID: 267603
• Molecular Formular: C9H7FN2S
• Molecular Mass: 194.2286832
• Monoisotopic Mass: 194.03139745
• SMILES: c1(c(scn1)N)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1ncsc1N
• InChI: InChI=1S/C9H7FN2S/c10-7-3-1-6(2-4-7)8-9(11)13-5-12-8/h1-5H,11H2
• InChIKey: UFSGAXJZAHDSGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16547591
• PubChem SID: 164323513
• PubChem CID: 47003052

CALCULATED PROPERTIES

• Acid pKa: 19.76559
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1439443
• LogD (pH = 7.4): 2.1448743
• Log P: 2.1448863
• Molar Refractivity: 50.1073 cm^3
• Polarizability: 19.832504 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.479

Product Information

• Purity: 95%