2T4

{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid

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

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1 entries where 2T4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 2T4

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Chemical Component Summary
Name	{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Systematic Name (OpenEye OEToolkits)	(2-azanyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid
Formula	C₁₁ H₁₁ N₂ O₄ P S
Molecular Weight	298.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N
SMILES	CACTVS	3.352	Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2
Canonical SMILES	CACTVS	3.352	Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2
InChI	InChI	1.03	InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
InChIKey	InChI	1.03	UVWYMQWTZQHZHH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL567704
PubChem	45487848
ChEMBL	CHEMBL567704

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