2T5

[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid

Created:	2009-10-22
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 2T5 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	30
Aromatic Bond Count	12

2D diagram of 2T5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	4H-indeno[1,2-d][1,3]thiazol-8-yloxymethylphosphonic acid
Formula	C₁₁ H₁₀ N O₄ P S
Molecular Weight	283.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)COc1c2c(ccc1)Cc3scnc23
SMILES	CACTVS	3.352	O[P](O)(=O)COc1cccc2Cc3scnc3c12
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2
Canonical SMILES	CACTVS	3.352	O[P](O)(=O)COc1cccc2Cc3scnc3c12
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2
InChI	InChI	1.03	InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15)
InChIKey	InChI	1.03	SMDILGWFXDZUOB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL592390
PubChem	46216773
ChEMBL	CHEMBL592390

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.