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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N)C(=O)O

InChI

InChI=1S/C16H17N5O2S/c17-7-13-8-19-16(24-13)20-14-6-11(3-4-18-14)9-21-5-1-2-12(10-21)15(22)23/h3-4,6,8,12H,1-2,5,9-10H2,(H,22,23)(H,18,19,20)