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

• ChemBase ID: 293038
• Molecular Formular: C7H8N2S
• Molecular Mass: 152.21682
• Monoisotopic Mass: 152.04081927
• SMILES: Cc1cn2c(C)csc2n1
• Canonical SMILES: Cc1nc2n(c1)c(cs2)C
• InChI: InChI=1S/C7H8N2S/c1-5-3-9-6(2)4-10-7(9)8-5/h3-4H,1-2H3
• InChIKey: UGNKCPGTFXKLRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25944-60-9
• PubChem SID: 180678569
• PubChem CID: 4029317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9577326
• LogD (pH = 7.4): 1.028221
• Log P: 1.0292
• Molar Refractivity: 53.2536 cm^3
• Polarizability: 15.507983 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%