WVD

4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one

Created:	2020-11-17
Last modified:	2021-06-30

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1 entries where WVD 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	5

2D diagram of WVD

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Chemical Component Summary
Name	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
Systematic Name (OpenEye OEToolkits)	4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperazin-2-one
Formula	C₉ H₁₁ N₃ O₂ S
Molecular Weight	225.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2NC(=O)CN(C(c1c(C)ncs1)=O)C2
SMILES	CACTVS	3.385	Cc1ncsc1C(=O)N2CCNC(=O)C2
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(scn1)C(=O)N2CCNC(=O)C2
Canonical SMILES	CACTVS	3.385	Cc1ncsc1C(=O)N2CCNC(=O)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(scn1)C(=O)N2CCNC(=O)C2
InChI	InChI	1.03	InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)
InChIKey	InChI	1.03	CAIRNMNSCHTAFY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53522944

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.