ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate

• ChemBase ID: 293394
• Molecular Formular: C7H10N2O2S
• Molecular Mass: 186.2315
• Monoisotopic Mass: 186.04629857
• SMILES: O=C(OCC)Cc1cnc(N)s1
• Canonical SMILES: CCOC(=O)Cc1cnc(s1)N
• InChI: InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3,(H2,8,9)
• InChIKey: JAZQWKNSZPGYPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
• IUPAC Traditional name: ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
• Synonyms: Ethyl 2-(2-aminothiazol-5-yl)acetate

Database IDs

• CAS Number: 62557-32-8
• MDL Number: MFCD18384953
• PubChem SID: 180678925
• PubChem CID: 717815

CALCULATED PROPERTIES

• Acid pKa: 16.685583
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.69273615
• LogD (pH = 7.4): 0.7593195
• Log P: 0.76025236
• Molar Refractivity: 46.0495 cm^3
• Polarizability: 17.46359 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%