N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

• ChemBase ID: 232493
• Molecular Formular: C17H15FN2S
• Molecular Mass: 298.3778032
• Monoisotopic Mass: 298.09399771
• SMILES: n1c(scc1c1ccc(cc1)F)Nc1cc(cc(c1)C)C
• Canonical SMILES: Fc1ccc(cc1)c1csc(n1)Nc1cc(C)cc(c1)C
• InChI: InChI=1S/C17H15FN2S/c1-11-7-12(2)9-15(8-11)19-17-20-16(10-21-17)13-3-5-14(18)6-4-13/h3-10H,1-2H3,(H,19,20)
• InChIKey: JVAKCQJEOLRZST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
• Synonyms: N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD01036718
• PubChem SID: 164288403
• PubChem CID: 3795358

CALCULATED PROPERTIES

• Acid pKa: 13.496928
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.9584613
• LogD (pH = 7.4): 5.95883
• Log P: 5.9588346
• Molar Refractivity: 84.2889 cm^3
• Polarizability: 32.951736 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.326

Product Information

• Purity: 95%