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

• ChemBase ID: 229880
• Molecular Formular: C13H18N2OS
• Molecular Mass: 250.35982
• Monoisotopic Mass: 250.11398421
• SMILES: C1(=NC(CS1)(C)C)Nc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1NC1=NC(CS1)(C)C
• InChI: InChI=1S/C13H18N2OS/c1-4-16-11-8-6-5-7-10(11)14-12-15-13(2,3)9-17-12/h5-8H,4,9H2,1-3H3,(H,14,15)
• InChIKey: QWIOGJVWTPIMKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03479180
• PubChem SID: 164285790
• PubChem CID: 2645799

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1803186
• LogD (pH = 7.4): 3.2847824
• Log P: 3.2862923
• Molar Refractivity: 74.2971 cm^3
• Polarizability: 28.117554 Å^3
• Polar Surface Area: 33.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.189

Product Information

• Purity: 95%