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

• ChemBase ID: 232201
• Molecular Formular: C18H18N2S
• Molecular Mass: 294.41392
• Monoisotopic Mass: 294.11906959
• SMILES: n1c(scc1c1ccc(cc1)C)Nc1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(cc1)c1csc(n1)Nc1cc(C)ccc1C
• InChI: InChI=1S/C18H18N2S/c1-12-5-8-15(9-6-12)17-11-21-18(20-17)19-16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,20)
• InChIKey: LNMGVXRDFNOIHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
• Synonyms: (2,5-Dimethyl-phenyl)-(4-p-tolyl-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD03542294
• PubChem SID: 164288111
• PubChem CID: 2442224

CALCULATED PROPERTIES

• Acid pKa: 13.655768
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.3291817
• LogD (pH = 7.4): 6.3295493
• Log P: 6.329554
• Molar Refractivity: 89.1137 cm^3
• Polarizability: 35.12404 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.607

Product Information

• Purity: 95%