ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate

• ChemBase ID: 66409
• Molecular Formular: C8H8N2O2S
• Molecular Mass: 196.22632
• Monoisotopic Mass: 196.03064851
• SMILES: s1c2n(cc1)cc(n2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C8H8N2O2S/c1-2-12-7(11)6-5-10-3-4-13-8(10)9-6/h3-5H,2H2,1H3
• InChIKey: PIURXAHSTOGOSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate
• IUPAC Traditional name: ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate
• Synonyms: ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate; Ethyl imidazo[2,1-b][1,3]thiazole-6-carboxylate 97%; Ethyl imidazo[2,1-b]thiazole-6-carboxylate

Database IDs

• CAS Number: 64951-04-8
• MDL Number: MFCD03419464
• PubChem SID: 162032147
• PubChem CID: 7018386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1332157
• LogD (pH = 7.4): 1.133299
• Log P: 1.1333
• Molar Refractivity: 59.9143 cm^3
• Polarizability: 18.33587 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-91°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%