ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate

• ChemBase ID: 228777
• Molecular Formular: C9H10N2O2S
• Molecular Mass: 210.2529
• Monoisotopic Mass: 210.04629857
• SMILES: c12nc(cn1ccs2)CC(=O)OCC
• Canonical SMILES: CCOC(=O)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C9H10N2O2S/c1-2-13-8(12)5-7-6-11-3-4-14-9(11)10-7/h3-4,6H,2,5H2,1H3
• InChIKey: DSVFDEWSKWCGEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate
• IUPAC Traditional name: ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate
• Synonyms: Imidazo[2,1-b]thiazol-6-yl-acetic acid ethyl ester

Database IDs

• CAS Number: 57332-73-7
• MDL Number: MFCD00225160
• PubChem SID: 164284687
• PubChem CID: 853574

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2354679
• LogD (pH = 7.4): 1.248136
• Log P: 1.2483
• Molar Refractivity: 63.9657 cm^3
• Polarizability: 20.171001 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.174

Product Information

• Purity: 95%