Y3L

N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE

Created:	2015-06-11
Last modified:	2016-06-29

Find Related PDB Entry
1 entries where Y3L 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	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	10

2D diagram of Y3L

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE
Systematic Name (OpenEye OEToolkits)	N-(6-chloranyl-1,3-benzothiazol-2-yl)ethanamide
Formula	C₉ H₇ Cl N₂ O S
Molecular Weight	226.683
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1sc2cc(Cl)ccc2n1
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1nc2ccc(cc2s1)Cl
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1sc2cc(Cl)ccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1nc2ccc(cc2s1)Cl
InChI	InChI	1.03	InChI=1S/C9H7ClN2OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChIKey	InChI	1.03	BCQXILHHRAEBLY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	959639

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.