0WB

3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile

Created:	2012-07-22
Last modified:	2012-07-22

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1 entries where 0WB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	17

2D diagram of 0WB

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Chemical Component Summary
Name	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
Systematic Name (OpenEye OEToolkits)	3-[2-[(5-fluoranyl-2-oxidanyl-phenyl)amino]-1,3-thiazol-4-yl]benzenecarbonitrile
Formula	C₁₆ H₁₀ F N₃ O S
Molecular Weight	311.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc3cccc(c1nc(sc1)Nc2c(O)ccc(F)c2)c3
SMILES	CACTVS	3.370	Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N
Canonical SMILES	CACTVS	3.370	Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N
InChI	InChI	1.03	InChI=1S/C16H10FN3OS/c17-12-4-5-15(21)13(7-12)19-16-20-14(9-22-16)11-3-1-2-10(6-11)8-18/h1-7,9,21H,(H,19,20)
InChIKey	InChI	1.03	WLSORBAAVBPTGJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	57519742

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