I5F

[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol

Created:	2022-02-11
Last modified:	2023-01-25

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2 entries where I5F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	14

2D diagram of I5F

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Chemical Component Summary
Name	[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol
Systematic Name (OpenEye OEToolkits)	[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol
Formula	C₈ H₅ N₃ O S
Molecular Weight	191.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc2n3cnnc3sc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1O)sc3n2cnn3
Canonical SMILES	CACTVS	3.385	Oc1ccc2n3cnnc3sc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1O)sc3n2cnn3
InChI	InChI	1.06	InChI=1S/C8H5N3OS/c12-5-1-2-6-7(3-5)13-8-10-9-4-11(6)8/h1-4,12H
InChIKey	InChI	1.06	IWIXTZQBCXYDRG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	33702003

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.