17J

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide

Created:2012-10-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count47
Aromatic Bond Count17
2D diagram of 17J

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Chemical Component Summary

Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-piperazine-1-carboxamide
FormulaC18 H18 N6 O S
Molecular Weight366.44
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cccnc1)N4CCN(c2nc(ns2)c3ccccc3)CC4
SMILESCACTVS3.370O=C(Nc1cccnc1)N2CCN(CC2)c3snc(n3)c4ccccc4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4
Canonical SMILESCACTVS3.370 O=C(Nc1cccnc1)N2CCN(CC2)c3snc(n3)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4
InChIInChI1.03 InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
InChIKeyInChI1.03 RCAFZHFLIBYWGO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL513553
PubChem 11552354
ChEMBL CHEMBL513553