IAW

6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Created:	2022-03-04
Last modified:	2023-01-25

Find Related PDB Entry
1 entries where IAW 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	23
Aromatic Bond Count	14

2D diagram of IAW

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Systematic Name (OpenEye OEToolkits)	6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula	C₉ H₇ N₃ O S
Molecular Weight	205.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc2n3cnnc3sc2c1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)sc3n2cnn3
Canonical SMILES	CACTVS	3.385	COc1ccc2n3cnnc3sc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)sc3n2cnn3
InChI	InChI	1.06	InChI=1S/C9H7N3OS/c1-13-6-2-3-7-8(4-6)14-9-11-10-5-12(7)9/h2-5H,1H3
InChIKey	InChI	1.06	VBZWNZIFSFRMTM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13473720

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.