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

• ChemBase ID: 229651
• Molecular Formular: C10H12N2S
• Molecular Mass: 192.28068
• Monoisotopic Mass: 192.07211939
• SMILES: C1(=NCCS1)Nc1c(C)cccc1
• Canonical SMILES: Cc1ccccc1NC1=NCCS1
• InChI: InChI=1S/C10H12N2S/c1-8-4-2-3-5-9(8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12)
• InChIKey: KRKBAXHCIRTHOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35160-10-2
• MDL Number: MFCD02660230
• PubChem SID: 164285561
• PubChem CID: 2064062

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8329988
• LogD (pH = 7.4): 2.8460426
• Log P: 2.9034255
• Molar Refractivity: 59.0695 cm^3
• Polarizability: 21.843578 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0020

Product Information

• Purity: 95%