SZA

~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide

Created:	2020-03-13
Last modified:	2020-06-03

Find Related PDB Entry
3 entries where SZA is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of SZA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
Formula	C₁₂ H₁₂ N₂ O S
Molecular Weight	232.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(NCCc1sccc1)c2ccncc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(sc1)CCNC(=O)c2ccncc2
Canonical SMILES	CACTVS	3.385	O=C(NCCc1sccc1)c2ccncc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(sc1)CCNC(=O)c2ccncc2
InChI	InChI	1.03	InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15)
InChIKey	InChI	1.03	MBRRKSONRBUYSE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45757129

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.