1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione

C9H11N3O2S — CID 64956144

IUPAC1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCc2cscn2)C(=O)CN1
InChIInChI=1S/C9H11N3O2S/c13-8-4-12(9(14)3-10-8)2-1-7-5-15-6-11-7/h5-6H,1-4H2,(H,10,13)
InChIKeySGWQXGYCIYSTPC-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.36
Rot. Bonds3

About 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione

1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 64956144) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID64956144
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCc2cscn2)C(=O)CN1
InChIInChI=1S/C9H11N3O2S/c13-8-4-12(9(14)3-10-8)2-1-7-5-15-6-11-7/h5-6H,1-4H2,(H,10,13)
InChIKeySGWQXGYCIYSTPC-UHFFFAOYSA-N
XLogP-0.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 64956144) is 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is O=C1CN(CCc2cscn2)C(=O)CN1.
What is the InChIKey of 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is SGWQXGYCIYSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-8-4-12(9(14)3-10-8)2-1-7-5-15-6-11-7/h5-6H,1-4H2,(H,10,13).
What are the key properties of 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 225.27 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64956144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).