TJ9

~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide

Created:	2023-01-05
Last modified:	2023-06-07

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1 entries where TJ9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	10

2D diagram of TJ9

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Chemical Component Summary
Name	~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide
Formula	C₉ H₁₀ N₄ O S₂
Molecular Weight	254.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1sc(c(C)n1)c2csc(N)n2
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=O)C)c2csc(n2)N
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1sc(c(C)n1)c2csc(N)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=O)C)c2csc(n2)N
InChI	InChI	1.06	InChI=1S/C9H10N4OS2/c1-4-7(6-3-15-8(10)13-6)16-9(11-4)12-5(2)14/h3H,1-2H3,(H2,10,13)(H,11,12,14)
InChIKey	InChI	1.06	HJVCYSMRXGHUDT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	40480560
ChEMBL	CHEMBL3646788

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