N-(2,6-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 232241
• Molecular Formular: C18H18N2S
• Molecular Mass: 294.41392
• Monoisotopic Mass: 294.11906959
• SMILES: n1c(scc1c1ccc(cc1)C)Nc1c(cccc1C)C
• Canonical SMILES: Cc1ccc(cc1)c1csc(n1)Nc1c(C)cccc1C
• InChI: InChI=1S/C18H18N2S/c1-12-7-9-15(10-8-12)16-11-21-18(19-16)20-17-13(2)5-4-6-14(17)3/h4-11H,1-3H3,(H,19,20)
• InChIKey: YYTSQSQEVHDBBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2,6-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
• Synonyms: (2,6-Dimethyl-phenyl)-(4-p-tolyl-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD04621567
• PubChem SID: 164288151
• PubChem CID: 2393693

CALCULATED PROPERTIES

• Acid pKa: 13.855925
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.329183
• LogD (pH = 7.4): 6.3295493
• Log P: 6.329554
• Molar Refractivity: 89.1137 cm^3
• Polarizability: 35.1246 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%