1-[5-[6-[(4-methylpyridin-2-yl)amino]pyridin-2-yl]-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-[6-[(4-methylpyridin-2-yl)amino]pyridin-2-yl]-1,3-thiazol-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-[6-[(4-methyl-2-pyridyl)amino]-2-pyridyl]thiazol-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-thiazolyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[6-[(4-methylpyridin-2-yl)amino]pyridin-2-yl]-1,3-thiazol-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-[6-[(4-methyl-2-pyridyl)amino]-2-pyridyl]thiazol-2-yl]isonipecotic acid Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC2=CC=CC(=N2)C3=CN=C(S3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=NC=C1)NC2=CC=CC(=N2)C3=CN=C(S3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C20H21N5O2S/c1-13-5-8-21-18(11-13)24-17-4-2-3-15(23-17)16-12-22-20(28-16)25-9-6-14(7-10-25)19(26)27/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,26,27)(H,21,23,24)