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

• ChemBase ID: 306603
• Molecular Formular: C7H6N2O2S
• Molecular Mass: 182.19974
• Monoisotopic Mass: 182.01499844
• SMILES: n12c(nc(c2)C)scc1C(=O)O
• Canonical SMILES: Cc1cn2c(n1)scc2C(=O)O
• InChI: InChI=1S/C7H6N2O2S/c1-4-2-9-5(6(10)11)3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
• InChIKey: PEGMBMPPBPZZPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933707-83-6
• MDL Number: MFCD09991782

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5449693
• LogD (pH = 7.4): -2.8874085
• Log P: -0.3566219
• Molar Refractivity: 55.2376 cm^3
• Polarizability: 16.215485 Å^3
• Polar Surface Area: 54.6 Å^2