25Z

[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone

Created:	2011-04-28
Last modified:	2012-10-26

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1 entries where 25Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

2D diagram of 25Z

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Chemical Component Summary
Name	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
Systematic Name (OpenEye OEToolkits)	(4-azanyl-2-phenylazanyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
Formula	C₁₇ H₁₂ F₃ N₃ O S
Molecular Weight	363.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccccc3
SMILES	CACTVS	3.370	Nc1nc(Nc2ccccc2)sc1C(=O)c3cccc(c3)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N
Canonical SMILES	CACTVS	3.370	Nc1nc(Nc2ccccc2)sc1C(=O)c3cccc(c3)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N
InChI	InChI	1.03	InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-4-5-10(9-11)13(24)14-15(21)23-16(25-14)22-12-7-2-1-3-8-12/h1-9H,21H2,(H,22,23)
InChIKey	InChI	1.03	DMSXJUBZGKCYAA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71662239
ChEMBL	CHEMBL2377836

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