ethyl 2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylate hydrochloride

• ChemBase ID: 272355
• Molecular Formular: C10H15ClN2O2S
• Molecular Mass: 262.7563
• Monoisotopic Mass: 262.05427641
• SMILES: c1(sc(nc1C)NC1CC1)C(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)c1sc(nc1C)NC1CC1.Cl
• InChI: InChI=1S/C10H14N2O2S.ClH/c1-3-14-9(13)8-6(2)11-10(15-8)12-7-4-5-7;/h7H,3-5H2,1-2H3,(H,11,12);1H
• InChIKey: JOGYMOCFCPXFNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylate hydrochloride
• Synonyms: ethyl 2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD18380660
• PubChem SID: 164328265
• PubChem CID: 50988246

CALCULATED PROPERTIES

• Acid pKa: 14.214494
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8786786
• LogD (pH = 7.4): 1.8787252
• Log P: 1.8787258
• Molar Refractivity: 59.2942 cm^3
• Polarizability: 22.146032 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 2.767

Product Information

• Purity: 95%