2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}acetic acid

• ChemBase ID: 310529
• Molecular Formular: C7H8N2O2S
• Molecular Mass: 184.21562
• Monoisotopic Mass: 184.03064851
• SMILES: c12=NCCn1c(CC(=O)O)cs2
• Canonical SMILES: OC(=O)Cc1csc2=NCCn12
• InChI: InChI=1S/C7H8N2O2S/c10-6(11)3-5-4-12-7-8-1-2-9(5)7/h4H,1-3H2,(H,10,11)
• InChIKey: KYLGVTXSFSDBGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}acetic acid
• IUPAC Traditional name: 5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylacetic acid
• Synonyms: 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylacetic acid

Database IDs

• CAS Number: 158197-27-4
• MDL Number: MFCD06009688

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.717927
• LogD (pH = 7.4): -2.794
• Log P: -1.673999
• Molar Refractivity: 47.0655 cm^3
• Polarizability: 17.461313 Å^3
• Polar Surface Area: 52.9 Å^2