N-hexyl-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 229686
• Molecular Formular: C9H18N2S
• Molecular Mass: 186.31762
• Monoisotopic Mass: 186.11906959
• SMILES: C1(=NCCS1)NCCCCCC
• Canonical SMILES: CCCCCCNC1=NCCS1
• InChI: InChI=1S/C9H18N2S/c1-2-3-4-5-6-10-9-11-7-8-12-9/h2-8H2,1H3,(H,10,11)
• InChIKey: MCRWWYQLJJKMCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01035662
• PubChem SID: 164285596
• PubChem CID: 4236807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3044555
• LogD (pH = 7.4): 1.0065423
• Log P: 2.6965718
• Molar Refractivity: 55.5455 cm^3
• Polarizability: 21.528212 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.698

Product Information

• Purity: 95%