[2-methyl-5-(1,3-thiazol-5-ylsulfanyl)phenyl]-(4-oxidanylpiperidin-1-yl)methanone; pyridin-2-amine

Systemtic Name: [2-methyl-5-(1,3-thiazol-5-ylsulfanyl)phenyl]-(4-oxidanylpiperidin-1-yl)methanone; pyridin-2-amine Openeye Name: (4-hydroxy-1-piperidyl)-(2-methyl-5-thiazol-5-ylsulfanyl-phenyl)methanone; pyridin-2-amine CAS Name: (4-hydroxy-1-piperidinyl)-[2-methyl-5-(5-thiazolylthio)phenyl]methanone; 2-pyridinamine IUPAC Name: (4-hydroxypiperidin-1-yl)-[2-methyl-5-(1,3-thiazol-5-ylsulfanyl)phenyl]methanone; pyridin-2-amine Traditional Name: (4-hydroxypiperidino)-[2-methyl-5-(thiazol-5-ylthio)phenyl]methanone; 2-pyridylamine Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CN=CS2)C(=O)N3CCC(CC3)O.C1=CC=NC(=C1)N

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CN=CS2)C(=O)N3CCC(CC3)O.C1=CC=NC(=C1)N

InChI

InChI=1S/C16H18N2O2S2.C5H6N2/c1-11-2-3-13(22-15-9-17-10-21-15)8-14(11)16(20)18-6-4-12(19)5-7-18;6-5-3-1-2-4-7-5/h2-3,8-10,12,19H,4-7H2,1H3;1-4H,(H2,6,7)