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

• ChemBase ID: 229854
• Molecular Formular: C10H20N2OS
• Molecular Mass: 216.3436
• Monoisotopic Mass: 216.12963427
• SMILES: C1(=NC(CS1)CC)NCCCOCC
• Canonical SMILES: CCOCCCNC1=NC(CS1)CC
• InChI: InChI=1S/C10H20N2OS/c1-3-9-8-14-10(12-9)11-6-5-7-13-4-2/h9H,3-8H2,1-2H3,(H,11,12)
• InChIKey: SKWVJJJQXOOGAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(3-ethoxypropyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
• Synonyms: (3-Ethoxy-propyl)-(4-ethyl-4,5-dihydro-thiazol-2-yl)-amine

Database IDs

• MDL Number: MFCD03476340
• PubChem SID: 164285764
• PubChem CID: 3845985

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5705749
• LogD (pH = 7.4): 0.41107392
• Log P: 1.7924252
• Molar Refractivity: 62.0702 cm^3
• Polarizability: 24.0612 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.211

Product Information

• Purity: 95%