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

• ChemBase ID: 229863
• Molecular Formular: C10H20N2OS
• Molecular Mass: 216.3436
• Monoisotopic Mass: 216.12963427
• SMILES: N1=C(SCC1(C)C)NCCCOCC
• Canonical SMILES: CCOCCCNC1=NC(CS1)(C)C
• InChI: InChI=1S/C10H20N2OS/c1-4-13-7-5-6-11-9-12-10(2,3)8-14-9/h4-8H2,1-3H3,(H,11,12)
• InChIKey: HJWBUXFVLJIYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(3-ethoxypropyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
• Synonyms: (4,4-Dimethyl-4,5-dihydro-thiazol-2-yl)-(3-ethoxy-propyl)-amine

Database IDs

• MDL Number: MFCD03476342
• PubChem SID: 164285773
• PubChem CID: 3293884

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.78658843
• LogD (pH = 7.4): 0.3343945
• Log P: 1.5504794
• Molar Refractivity: 62.1844 cm^3
• Polarizability: 24.061321 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.201

Product Information

• Purity: 95%