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

• ChemBase ID: 240482
• Molecular Formular: C9H8N2OS
• Molecular Mass: 192.23762
• Monoisotopic Mass: 192.03573389
• SMILES: c12nc(c(n1ccs2)C=O)C1CC1
• Canonical SMILES: O=Cc1c(nc2n1ccs2)C1CC1
• InChI: InChI=1S/C9H8N2OS/c12-5-7-8(6-1-2-6)10-9-11(7)3-4-13-9/h3-6H,1-2H2
• InChIKey: DLXDDZCOOXLWAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05179685
• PubChem SID: 164296392
• PubChem CID: 4418339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1402386
• LogD (pH = 7.4): 1.1409904
• Log P: 1.141
• Molar Refractivity: 61.9646 cm^3
• Polarizability: 18.640236 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.986

Product Information

• Purity: 95%