Q2N

2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide

Created:	2017-01-27
Last modified:	2017-10-25

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2 entries where Q2N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

2D diagram of Q2N

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Chemical Component Summary
Name	2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Systematic Name (OpenEye OEToolkits)	2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
Formula	C₁₆ H₁₂ F N₃ O S
Molecular Weight	313.349
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1
SMILES	OpenEye OEToolkits	2.0.6	c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F
Canonical SMILES	CACTVS	3.385	Fc1ccc(CC(=O)Nc2scc(n2)c3ccccn3)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C16H12FN3OS/c17-12-6-4-11(5-7-12)9-15(21)20-16-19-14(10-22-16)13-3-1-2-8-18-13/h1-8,10H,9H2,(H,19,20,21)
InChIKey	InChI	1.03	MILLBOMBXCCZHF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2660463
ChEMBL	CHEMBL2093230

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