4-(2-ethoxyphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 260283
• Molecular Formular: C11H12N2OS
• Molecular Mass: 220.29078
• Monoisotopic Mass: 220.06703401
• SMILES: n1c(c2c(OCC)cccc2)csc1N
• Canonical SMILES: CCOc1ccccc1c1csc(n1)N
• InChI: InChI=1S/C11H12N2OS/c1-2-14-10-6-4-3-5-8(10)9-7-15-11(12)13-9/h3-7H,2H2,1H3,(H2,12,13)
• InChIKey: OVOLGSRVNCMOCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(2-ethoxyphenyl)-1,3-thiazol-2-amine
• Synonyms: 4-(2-ethoxyphenyl)-1,3-thiazol-2-amine

Database IDs

• CAS Number: 383129-54-2
• MDL Number: MFCD02370358
• PubChem SID: 164316193
• PubChem CID: 734897

CALCULATED PROPERTIES

• Acid pKa: 16.64387
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.707057
• LogD (pH = 7.4): 2.719415
• Log P: 2.719575
• Molar Refractivity: 61.4161 cm^3
• Polarizability: 24.543726 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 2.256

Product Information

• Purity: 95%