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

• ChemBase ID: 229881
• Molecular Formular: C12H16N2S
• Molecular Mass: 220.33384
• Monoisotopic Mass: 220.10341952
• SMILES: C1(=NC(CS1)C)Nc1c(cc(cc1)C)C
• Canonical SMILES: Cc1ccc(c(c1)C)NC1=NC(CS1)C
• InChI: InChI=1S/C12H16N2S/c1-8-4-5-11(9(2)6-8)14-12-13-10(3)7-15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
• InChIKey: WQVMDAWJWWJFBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03479178
• PubChem SID: 164285791
• PubChem CID: 3855370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7905576
• LogD (pH = 7.4): 3.7798116
• Log P: 3.833422
• Molar Refractivity: 68.5295 cm^3
• Polarizability: 25.453587 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.02

Product Information

• Purity: 95%