4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine

• ChemBase ID: 257763
• Molecular Formular: C10H9FN2S
• Molecular Mass: 208.2552632
• Monoisotopic Mass: 208.04704752
• SMILES: n1c(scc1Cc1c(F)cccc1)N
• Canonical SMILES: Nc1scc(n1)Cc1ccccc1F
• InChI: InChI=1S/C10H9FN2S/c11-9-4-2-1-3-7(9)5-8-6-14-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
• InChIKey: GZPIZKSLZPPUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
• Synonyms: 4-(2-fluorobenzyl)-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD11505537
• PubChem SID: 164313673
• PubChem CID: 39870267

CALCULATED PROPERTIES

• Acid pKa: 16.890629
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5277915
• LogD (pH = 7.4): 2.5948446
• Log P: 2.5957747
• Molar Refractivity: 54.9699 cm^3
• Polarizability: 20.280977 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.439

Product Information

• Purity: 95%