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CAS 116912-49-3

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3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)

Description:
3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1), is a chemical compound characterized by its thiazolidine and benzothiazole moieties, which contribute to its biological activity and potential pharmacological properties. The presence of the thiazolidine ring suggests that it may exhibit properties related to thiol chemistry, while the benzothiazole component can enhance its interaction with biological targets due to its aromatic nature. This compound is likely to be a zwitterion due to the presence of both acidic and basic functional groups, which can influence its solubility and reactivity. The N,N-diethylethanamine component indicates that the compound may have basic characteristics, potentially affecting its pharmacokinetics and bioavailability. Overall, this compound may be of interest in medicinal chemistry, particularly for its potential applications in drug development, although specific biological activities and mechanisms would require further investigation through empirical studies.
Formula:C13H10N2O3S3·C6H15N
InChI:InChI=1S/C13H10N2O3S3.C6H15N/c1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10;1-4-7(5-2)6-3/h2-5H,6H2,1H3,(H,16,17);4-6H2,1-3H3
InChI key:InChIKey=QBVDHWCWNMADBL-UHFFFAOYSA-N
SMILES:CN1C(SC=2C1=CC=CC2)=C3C(=O)N(CC(O)=O)C(=S)S3.N(CC)(CC)CC
Synonyms:
  • 3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)
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