[(diphenyl-1,3-thiazol-5-yl)methyl](methyl)amine

• ChemBase ID: 92868
• Molecular Formular: C17H16N2S
• Molecular Mass: 280.38734
• Monoisotopic Mass: 280.10341952
• SMILES: s1c(c(c2ccccc2)nc1c1ccccc1)CNC
• Canonical SMILES: CNCc1sc(nc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H16N2S/c1-18-12-15-16(13-8-4-2-5-9-13)19-17(20-15)14-10-6-3-7-11-14/h2-11,18H,12H2,1H3
• InChIKey: DXDWGXWYNMWYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(diphenyl-1,3-thiazol-5-yl)methyl](methyl)amine
• IUPAC Traditional name: [(diphenyl-1,3-thiazol-5-yl)methyl](methyl)amine
• Synonyms: N-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-N-methylamine; N-[(2,4-Diphenyl-1,3-thiazol-5-yl)methyl]-N-methylamine 97%

Database IDs

• CAS Number: 884507-18-0
• MDL Number: MFCD08435865
• PubChem SID: 162079566
• PubChem CID: 18525759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2180064
• LogD (pH = 7.4): 2.363545
• Log P: 4.380673
• Molar Refractivity: 94.1643 cm^3
• Polarizability: 34.658493 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86.5-88.5°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%