4JG

1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone

Created:	2013-03-11
Last modified:	2021-03-01

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1 entries where 4JG 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	16

2D diagram of 4JG

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Chemical Component Summary
Name	1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
Synonyms	1-(4-methyl-2-(naphthalen-2-ylamino)thiazol-5-yl)ethanone
Systematic Name (OpenEye OEToolkits)	1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
Formula	C₁₆ H₁₄ N₂ O S
Molecular Weight	282.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sc(nc1C)Nc2ccc3c(c2)cccc3)C
SMILES	CACTVS	3.370	CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C
Canonical SMILES	CACTVS	3.370	CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C
InChI	InChI	1.03	InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)
InChIKey	InChI	1.03	CELUMPGHYUOWHA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3410576
PubChem	118732495
ChEMBL	CHEMBL3410576

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.