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

• ChemBase ID: 229675
• Molecular Formular: C13H18N2S
• Molecular Mass: 234.36042
• Monoisotopic Mass: 234.11906959
• SMILES: C1(=NC(CS1)CC)Nc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)NC1=NC(CS1)CC
• InChI: InChI=1S/C13H18N2S/c1-3-10-5-7-12(8-6-10)15-13-14-11(4-2)9-16-13/h5-8,11H,3-4,9H2,1-2H3,(H,14,15)
• InChIKey: IOULONIGCOQTQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03150323
• PubChem SID: 164285585
• PubChem CID: 3388859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.455294
• LogD (pH = 7.4): 4.255877
• Log P: 4.2870917
• Molar Refractivity: 72.6133 cm^3
• Polarizability: 27.376911 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.119

Product Information

• Purity: 95%