4I2

N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide

Created:	2021-07-08
Last modified:	2022-04-27

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2 entries where 4I2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	17

2D diagram of 4I2

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Chemical Component Summary
Name	N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[2-[[3-(trifluoromethyl)phenyl]amino]-1,3-thiazol-4-yl]phenyl]ethanamide
Formula	C₁₈ H₁₄ F₃ N₃ O S
Molecular Weight	377.383
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)Nc1ccc(cc1)c1csc(Nc2cccc(c2)C(F)(F)F)n1
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(c3)C(F)(F)F)n2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)C(F)(F)F
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2csc(Nc3cccc(c3)C(F)(F)F)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C18H14F3N3OS/c1-11(25)22-14-7-5-12(6-8-14)16-10-26-17(24-16)23-15-4-2-3-13(9-15)18(19,20)21/h2-10H,1H3,(H,22,25)(H,23,24)
InChIKey	InChI	1.03	WCPMDFWXUJATQO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4232041

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