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

• ChemBase ID: 229918
• Molecular Formular: C11H20N2S
• Molecular Mass: 212.3549
• Monoisotopic Mass: 212.13471965
• SMILES: C1(=NCC(S1)C)NC1C(C)CCCC1
• Canonical SMILES: CC1CN=C(S1)NC1CCCCC1C
• InChI: InChI=1S/C11H20N2S/c1-8-5-3-4-6-10(8)13-11-12-7-9(2)14-11/h8-10H,3-7H2,1-2H3,(H,12,13)
• InChIKey: JAFZMDNLUBMVJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03483908
• PubChem SID: 164285828
• PubChem CID: 2999911

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6901092
• LogD (pH = 7.4): 1.7572829
• Log P: 3.0385296
• Molar Refractivity: 62.3467 cm^3
• Polarizability: 24.483986 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.122

Product Information

• Purity: 95%