4-((4-(1,2,5,6-Tetrahydro-1-methyl-3-pyridinyl)-1,2,5-thiadiazol-3-yl)oxy)butanoic Acid

cas: 159058-46-5 — see every product listed under this CAS number, including other names

4-((4-(1,2,5,6-Tetrahydro-1-methyl-3-pyridinyl)-1,2,5-thiadiazol-3-yl)oxy)butanoic Acid (CAS 159058-46-5) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 5mg, 50mg. Offered by: TRC, Biosynth.

• 2D
• 3D

4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butanoic acid (CAS 159058-46-5) is a chemical compound with the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. IUPAC name: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butanoic acid. InChIKey: KVTBPDAUQZIPQQ-UHFFFAOYSA-N.

Identity

Molecular formula	C12H17N3O3S
Molecular weight	283.35 g/mol
IUPAC name	4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butanoic acid
InChIKey	KVTBPDAUQZIPQQ-UHFFFAOYSA-N
SMILES	CN1CCC=C(C1)C2=NSN=C2OCCCC(=O)O

Computed by PubChem (NCBI)

Synonyms: Xanomeline Metabolite B, starbld0005855

Isomers (same molecular formula)

imidazol-1-amine;2,4,6-trimethylbenzenesulfonic acid C₁₂H₁₇N₃O₃S

4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid C₁₂H₁₇N₃O₃S

5-oxo-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid C₁₂H₁₇N₃O₃S

3-piperidin-1-ylsulfonylbenzohydrazide C₁₂H₁₇N₃O₃S

1-(benzenesulfonyl)piperidine-4-carbohydrazide C₁₂H₁₇N₃O₃S

tert-butyl 4-oxo-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate C₁₂H₁₇N₃O₃S

tert-butyl 2-methylsulfanyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate C₁₂H₁₇N₃O₃S

ethyl 2-amino-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate C₁₂H₁₇N₃O₃S

N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide C₁₂H₁₇N₃O₃S

5-azidopentyl 4-methylbenzenesulfonate C₁₂H₁₇N₃O₃S

2-pyrrolidin-1-yl-N-(4-sulfamoylphenyl)acetamide C₁₂H₁₇N₃O₃S

1-(benzenesulfonyl)piperidine-3-carbohydrazide C₁₂H₁₇N₃O₃S