ethyl 2-(2-amino-4-methyl-1,3-thiazol-5-yl)acetate

• ChemBase ID: 310473
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: n1c(sc(c1C)CC(=O)OCC)N
• Canonical SMILES: Cc1nc(sc1CC(=O)OCC)N
• InChI: InChI=1S/C8H12N2O2S/c1-3-12-7(11)4-6-5(2)10-8(9)13-6/h3-4H2,1-2H3,(H2,9,10)
• InChIKey: QEZIBLVBXQCOTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-amino-4-methyl-1,3-thiazol-5-yl)acetate
• IUPAC Traditional name: ethyl 2-(2-amino-4-methyl-1,3-thiazol-5-yl)acetate
• Synonyms: ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate

Database IDs

• CAS Number: 78468-68-5
• MDL Number: MFCD01993833

CALCULATED PROPERTIES

• Log P: 0.89162254
• Molar Refractivity: 50.641 cm^3
• Polarizability: 19.206411 Å^3
• Polar Surface Area: 65.21 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8359206
• LogD (pH = 7.4): 0.89087194