RPW

2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide

Created:	2022-12-06
Last modified:	2023-09-13

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1 entries where RPW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	16

2D diagram of RPW

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Chemical Component Summary
Name	2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide
Systematic Name (OpenEye OEToolkits)	2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide
Formula	C₁₅ H₁₅ N₅ O S₂
Molecular Weight	345.443
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1sc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)nc1
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cccc(n1)Nc2nc(cs2)CC(=O)Nc3ncc(s3)C
Canonical SMILES	CACTVS	3.385	Cc1sc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)nc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cccc(n1)Nc2nc(cs2)CC(=O)Nc3ncc(s3)C
InChI	InChI	1.06	InChI=1S/C15H15N5OS2/c1-9-4-3-5-12(17-9)19-15-18-11(8-22-15)6-13(21)20-14-16-7-10(2)23-14/h3-5,7-8H,6H2,1-2H3,(H,16,20,21)(H,17,18,19)
InChIKey	InChI	1.06	QMRBCNQCRMTXBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49677967
ChEMBL	CHEMBL5175040

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.