GJ5

4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

Created:	2018-09-17
Last modified:	2018-12-26

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1 entries where GJ5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	11

2D diagram of GJ5

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Chemical Component Summary
Name	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Systematic Name (OpenEye OEToolkits)	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula	C₁₇ H₁₉ F₃ N₂ O S
Molecular Weight	356.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
Canonical SMILES	CACTVS	3.385	CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChI	InChI	1.03	InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
InChIKey	InChI	1.03	UBQMCDSKFNKYKI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73425575

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