1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid CAS Name: 1-[5-(2,5-dimethyl-1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]nipecotic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NN=C(S2)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=NN=C(S2)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C14H18N4O2S/c1-9-5-6-10(2)18(9)14-16-15-13(21-14)17-7-3-4-11(8-17)12(19)20/h5-6,11H,3-4,7-8H2,1-2H3,(H,19,20)