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

• ChemBase ID: 229837
• Molecular Formular: C12H16N2S
• Molecular Mass: 220.33384
• Monoisotopic Mass: 220.10341952
• SMILES: C1(=NC(CS1)CC)Nc1ccc(cc1)C
• Canonical SMILES: CCC1CSC(=N1)Nc1ccc(cc1)C
• InChI: InChI=1S/C12H16N2S/c1-3-10-8-15-12(13-10)14-11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)
• InChIKey: AYJLDWNXWJOGPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-ethyl-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (4-Ethyl-4,5-dihydro-thiazol-2-yl)-p-tolyl-amine

Database IDs

• MDL Number: MFCD03478354
• PubChem SID: 164285747
• PubChem CID: 3866486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.990449
• LogD (pH = 7.4): 3.8095832
• Log P: 3.8425229
• Molar Refractivity: 68.0123 cm^3
• Polarizability: 25.532478 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.59

Product Information

• Purity: 95%