N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 265377
• Molecular Formular: C11H13FN2S
• Molecular Mass: 224.2977232
• Monoisotopic Mass: 224.07834765
• SMILES: C1(=NCCS1)NCCc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1CCNC1=NCCS1
• InChI: InChI=1S/C11H13FN2S/c12-10-4-2-1-3-9(10)5-6-13-11-14-7-8-15-11/h1-4H,5-8H2,(H,13,14)
• InChIKey: RSKQQIZQZYSYSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD11202467
• PubChem SID: 164321287
• PubChem CID: 29068158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2530266
• LogD (pH = 7.4): 1.0297059
• Log P: 2.6393719
• Molar Refractivity: 62.0539 cm^3
• Polarizability: 23.339552 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 1.293

Product Information

• Purity: 95%