6-methylimidazo[2,1-b][1,3]thiazole

• ChemBase ID: 251109
• Molecular Formular: C6H6N2S
• Molecular Mass: 138.19024
• Monoisotopic Mass: 138.0251692
• SMILES: c12n(cc(n1)C)ccs2
• Canonical SMILES: Cc1cn2c(n1)scc2
• InChI: InChI=1S/C6H6N2S/c1-5-4-8-2-3-9-6(8)7-5/h2-4H,1H3
• InChIKey: VFPIWRDESXULHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04610181
• PubChem SID: 164307019
• PubChem CID: 329946

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.97850865
• LogD (pH = 7.4): 1.0142246
• Log P: 1.0147
• Molar Refractivity: 48.1039 cm^3
• Polarizability: 13.752626 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.466

Product Information

• Purity: 95%