3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

C13H19N3O2S — CID 64973279

IUPAC3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C(C)c2nccs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-4-9-13(18)16(10(5-2)11(17)15-9)8(3)12-14-6-7-19-12/h6-10H,4-5H2,1-3H3,(H,15,17)
InChIKeySCSPXWNKQBZPSW-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.72
Rot. Bonds4

About 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64973279) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64973279
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C(C)c2nccs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-4-9-13(18)16(10(5-2)11(17)15-9)8(3)12-14-6-7-19-12/h6-10H,4-5H2,1-3H3,(H,15,17)
InChIKeySCSPXWNKQBZPSW-UHFFFAOYSA-N
XLogP1.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64973279) is 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(C(C)c2nccs2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is SCSPXWNKQBZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-9-13(18)16(10(5-2)11(17)15-9)8(3)12-14-6-7-19-12/h6-10H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64973279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).