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

• ChemBase ID: 229816
• Molecular Formular: C11H14N2OS
• Molecular Mass: 222.30666
• Monoisotopic Mass: 222.08268408
• SMILES: C1(=NCCS1)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC1=NCCS1
• InChI: InChI=1S/C11H14N2OS/c1-2-14-10-5-3-9(4-6-10)13-11-12-7-8-15-11/h3-6H,2,7-8H2,1H3,(H,12,13)
• InChIKey: NYPSBGMCQHLKQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03152761
• PubChem SID: 164285726
• PubChem CID: 2345499

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4035312
• LogD (pH = 7.4): 2.5132835
• Log P: 2.5891407
• Molar Refractivity: 65.2401 cm^3
• Polarizability: 24.43011 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.491

Product Information

• Purity: 95%