WLS

1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine

Created:	2020-10-30
Last modified:	2020-11-11

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2 entries where WLS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	11

2D diagram of WLS

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Chemical Component Summary
Name	1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine
Systematic Name (OpenEye OEToolkits)	1-pyridin-4-yl-~{N}-(thiophen-2-ylmethyl)methanamine
Formula	C₁₁ H₁₂ N₂ S
Molecular Weight	204.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cccs1)CNCc2ccncc2
SMILES	CACTVS	3.385	C(NCc1ccncc1)c2sccc2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)CNCc2ccncc2
Canonical SMILES	CACTVS	3.385	C(NCc1ccncc1)c2sccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)CNCc2ccncc2
InChI	InChI	1.03	InChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2
InChIKey	InChI	1.03	FQIVJKQSUFZNMO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	964916
ChEMBL	CHEMBL1906955

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