1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid CAS Name: 1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NN=C(S2)N3C=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NN=C(S2)N3C=CC=C3

InChI

InChI=1S/C12H14N4O2S/c17-10(18)9-3-7-16(8-4-9)12-14-13-11(19-12)15-5-1-2-6-15/h1-2,5-6,9H,3-4,7-8H2,(H,17,18)