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

• ChemBase ID: 231629
• Molecular Formular: C11H14N2S
• Molecular Mass: 206.30726
• Monoisotopic Mass: 206.08776946
• SMILES: C1(=NCC(S1)C)Nc1cc(ccc1)C
• Canonical SMILES: CC1CN=C(S1)Nc1cccc(c1)C
• InChI: InChI=1S/C11H14N2S/c1-8-4-3-5-10(6-8)13-11-12-7-9(2)14-11/h3-6,9H,7H2,1-2H3,(H,12,13)
• InChIKey: NBNOKMADYAZRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-methyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (5-Methyl-4,5-dihydro-thiazol-2-yl)-m-tolyl-amine

Database IDs

• MDL Number: MFCD00275292
• PubChem SID: 164287539
• PubChem CID: 2802272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4026942
• LogD (pH = 7.4): 3.2576523
• Log P: 3.294176
• Molar Refractivity: 63.4605 cm^3
• Polarizability: 23.688759 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.061

Product Information

• Purity: 95%