N-cyclohexyl-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 229913
• Molecular Formular: C11H20N2S
• Molecular Mass: 212.3549
• Monoisotopic Mass: 212.13471965
• SMILES: C1(=NC(CS1)(C)C)NC1CCCCC1
• Canonical SMILES: CC1(C)CSC(=N1)NC1CCCCC1
• InChI: InChI=1S/C11H20N2S/c1-11(2)8-14-10(13-11)12-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,12,13)
• InChIKey: VCWVWBSXLQJCKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-cyclohexyl-4,4-dimethyl-5H-1,3-thiazol-2-amine
• Synonyms: Cyclohexyl-(4,4-dimethyl-4,5-dihydro-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD03651659
• PubChem SID: 164285823
• PubChem CID: 575316

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.70077425
• LogD (pH = 7.4): 2.0013232
• Log P: 2.9799578
• Molar Refractivity: 62.5411 cm^3
• Polarizability: 24.483585 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%