I6D

7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Created:	2022-02-12
Last modified:	2023-02-08

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1 entries where I6D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	14

2D diagram of I6D

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Chemical Component Summary
Name	7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Systematic Name (OpenEye OEToolkits)	7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Formula	C₉ H₇ N₃ S
Molecular Weight	189.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc2sc3nncn3c2c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)n3cnnc3s2
Canonical SMILES	CACTVS	3.385	Cc1ccc2sc3nncn3c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)n3cnnc3s2
InChI	InChI	1.06	InChI=1S/C9H7N3S/c1-6-2-3-8-7(4-6)12-5-10-11-9(12)13-8/h2-5H,1H3
InChIKey	InChI	1.06	AYAUSTLAUXOBIN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13849190

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.