N-benzyl-4-(4-phenylphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 231587
• Molecular Formular: C22H18N2S
• Molecular Mass: 342.45672
• Monoisotopic Mass: 342.11906959
• SMILES: n1c(scc1c1ccc(cc1)c1ccccc1)NCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNc1scc(n1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H18N2S/c1-3-7-17(8-4-1)15-23-22-24-21(16-25-22)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,16H,15H2,(H,23,24)
• InChIKey: BUQJYGGXRHPXES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-(4-phenylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-benzyl-4-(4-phenylphenyl)-1,3-thiazol-2-amine
• Synonyms: Benzyl-(4-biphenyl-4-yl-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD03984467
• PubChem SID: 164287497
• PubChem CID: 2369668

CALCULATED PROPERTIES

• Acid pKa: 14.742969
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.192707
• LogD (pH = 7.4): 6.1938267
• Log P: 6.193841
• Molar Refractivity: 105.4465 cm^3
• Polarizability: 42.743637 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.467

Product Information

• Purity: 95%