4B6

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

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

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1 entries where 4B6 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 4B6

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Chemical Component Summary
Name	N-{4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl}acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[2-[(2-fluorophenyl)amino]-1,3-thiazol-4-yl]phenyl]ethanamide
Formula	C₁₇ H₁₄ F N₃ O S
Molecular Weight	327.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)Nc1ccc(cc1)c1csc(Nc2ccccc2F)n1
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3F)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3F
InChI	InChI	1.03	InChI=1S/C17H14FN3OS/c1-11(22)19-13-8-6-12(7-9-13)16-10-23-17(21-16)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKey	InChI	1.03	WXSPVANDYDKIDO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	32367580

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.