2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[4-[(4-methylsulfonyl-1-piperidyl)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile CAS Name: 2-[[4-[(4-methylsulfonyl-1-piperidinyl)methyl]-2-pyridinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[4-[(4-methylsulfonylpiperidin-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[4-[(4-mesylpiperidino)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile Formula: C16H19N5O2S2 MolecularWeight: 377.48436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCN(CC1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N

Isomeric SMILES

CS(=O)(=O)C1CCN(CC1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C16H19N5O2S2/c1-25(22,23)14-3-6-21(7-4-14)11-12-2-5-18-15(8-12)20-16-19-10-13(9-17)24-16/h2,5,8,10,14H,3-4,6-7,11H2,1H3,(H,18,19,20)