1-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-[(5-cyano-2-thiazolyl)amino]-4-pyridinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methyl]isonipecotic acid Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C16H17N5O2S/c17-8-13-9-19-16(24-13)20-14-7-11(1-4-18-14)10-21-5-2-12(3-6-21)15(22)23/h1,4,7,9,12H,2-3,5-6,10H2,(H,22,23)(H,18,19,20)