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

• ChemBase ID: 229961
• Molecular Formular: C10H18N2S
• Molecular Mass: 198.32832
• Monoisotopic Mass: 198.11906959
• SMILES: C1(=NCCS1)NC1C(C)CCCC1
• Canonical SMILES: CC1CCCCC1NC1=NCCS1
• InChI: InChI=1S/C10H18N2S/c1-8-4-2-3-5-9(8)12-10-11-6-7-13-10/h8-9H,2-7H2,1H3,(H,11,12)
• InChIKey: AFOLMFKYZXWSRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (4,5-Dihydro-thiazol-2-yl)-(2-methyl-cyclohexyl)-amine

Database IDs

• MDL Number: MFCD03653084
• PubChem SID: 164285871
• PubChem CID: 3792463

CALCULATED PROPERTIES

• Log P: 2.647779
• Molar Refractivity: 57.9557 cm^3
• Polarizability: 22.640102 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.28667757
• LogD (pH = 7.4): 1.2807775

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.603

Product Information

• Purity: 95%