propan-2-yl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

• ChemBase ID: 312200
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: c1(c(nc(s1)N)C)C(=O)OC(C)C
• Canonical SMILES: CC(OC(=O)c1sc(nc1C)N)C
• InChI: InChI=1S/C8H12N2O2S/c1-4(2)12-7(11)6-5(3)10-8(9)13-6/h4H,1-3H3,(H2,9,10)
• InChIKey: NECZLUPCQZMZMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
• IUPAC Traditional name: isopropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
• Synonyms: isopropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

Database IDs

• CAS Number: 692745-01-0
• MDL Number: MFCD05743578

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5274004
• LogD (pH = 7.4): 1.5280242
• Log P: 1.5280322
• Molar Refractivity: 51.0084 cm^3
• Polarizability: 19.204922 Å^3
• Polar Surface Area: 65.21 Å^2