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

• ChemBase ID: 229855
• Molecular Formular: C13H18N2S
• Molecular Mass: 234.36042
• Monoisotopic Mass: 234.11906959
• SMILES: C1(=NC(CS1)CC)Nc1c(cc(cc1)C)C
• Canonical SMILES: CCC1CSC(=N1)Nc1ccc(cc1C)C
• InChI: InChI=1S/C13H18N2S/c1-4-11-8-16-13(14-11)15-12-6-5-9(2)7-10(12)3/h5-7,11H,4,8H2,1-3H3,(H,14,15)
• InChIKey: NPLBMIRUAWCQIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03476331
• PubChem SID: 164285765
• PubChem CID: 3529890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3675494
• LogD (pH = 7.4): 4.3091493
• Log P: 4.355944
• Molar Refractivity: 73.0535 cm^3
• Polarizability: 27.298706 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.549

Product Information

• Purity: 95%