6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

• ChemBase ID: 243047
• Molecular Formular: C8H8N2O2S
• Molecular Mass: 196.22632
• Monoisotopic Mass: 196.03064851
• SMILES: n1c2n(c(c1OCC)C=O)ccs2
• Canonical SMILES: CCOc1nc2n(c1C=O)ccs2
• InChI: InChI=1S/C8H8N2O2S/c1-2-12-7-6(5-11)10-3-4-13-8(10)9-7/h3-5H,2H2,1H3
• InChIKey: BMPZBUUWHLTNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• IUPAC Traditional name: 6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• Synonyms: 6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Database IDs

• MDL Number: MFCD09052524
• PubChem SID: 164298957
• PubChem CID: 16780021

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0721995
• LogD (pH = 7.4): 1.0722
• Log P: 1.0722
• Molar Refractivity: 61.4992 cm^3
• Polarizability: 18.333462 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.302

Product Information

• Purity: 95%