5LQ

5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine

Created:	2015-10-20
Last modified:	2020-06-27

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1 entries where 5LQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	6

2D diagram of 5LQ

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Chemical Component Summary
Name	5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
Systematic Name (OpenEye OEToolkits)	5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
Formula	C₁₇ H₂₂ Cl N₃ O₃ S
Molecular Weight	383.893
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3
SMILES	OpenEye OEToolkits	2.0.4	CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl
Canonical SMILES	CACTVS	3.385	CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl
InChI	InChI	1.03	InChI=1S/C17H22ClN3O3S/c1-13-16(14-4-2-5-15(18)12-14)25(22,23)20-17(13)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,20)
InChIKey	InChI	1.03	JWMPLVBGKAZGQA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22512334, 135810026

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.