ethyl 2-(morpholin-4-yl)-1,3-thiazole-4-carboxylate

• ChemBase ID: 75920
• Molecular Formular: C10H14N2O3S
• Molecular Mass: 242.29476
• Monoisotopic Mass: 242.07251332
• SMILES: n1c(N2CCOCC2)scc1C(=O)OCC
• Canonical SMILES: CCOC(=O)c1csc(n1)N1CCOCC1
• InChI: InChI=1S/C10H14N2O3S/c1-2-15-9(13)8-7-16-10(11-8)12-3-5-14-6-4-12/h7H,2-6H2,1H3
• InChIKey: OINWWRRVBHJAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(morpholin-4-yl)-1,3-thiazole-4-carboxylate
• IUPAC Traditional name: ethyl 2-(morpholin-4-yl)-1,3-thiazole-4-carboxylate
• Synonyms: ethyl 2-morpholino-1,3-thiazole-4-carboxylate; 4-[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl]morpholine; Ethyl 2-(morpholin-4-yl)-1,3-thiazole-4-carboxylate 97%

Database IDs

• CAS Number: 126533-95-7
• MDL Number: MFCD09702412
• PubChem SID: 162040838
• PubChem CID: 15053544

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7519644
• LogD (pH = 7.4): 1.7519672
• Log P: 1.7519673
• Molar Refractivity: 60.6447 cm^3
• Polarizability: 22.967049 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88.5-90°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Air Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 97%