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

• ChemBase ID: 232092
• Molecular Formular: C22H18N2OS
• Molecular Mass: 358.45612
• Monoisotopic Mass: 358.11398421
• SMILES: n1c(scc1c1ccc(cc1)c1ccccc1)Nc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Nc1scc(n1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H18N2OS/c1-25-21-10-6-5-9-19(21)23-22-24-20(15-26-22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
• InChIKey: OFNHICCOTMRLLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
• Synonyms: (4-Biphenyl-4-yl-thiazol-2-yl)-(2-methoxy-phenyl)-amine

Database IDs

• MDL Number: MFCD00731836
• PubChem SID: 164288002
• PubChem CID: 2303545

CALCULATED PROPERTIES

• Acid pKa: 11.891677
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 6.278503
• LogD (pH = 7.4): 6.278826
• Log P: 6.2788444
• Molar Refractivity: 105.5895 cm^3
• Polarizability: 43.354733 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.939

Product Information

• Purity: 95%