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

C11H15N3O2S — CID 64971150

IUPAC3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CCc2cscn2)C1=O
InChIInChI=1S/C11H15N3O2S/c1-2-9-11(16)14(5-10(15)13-9)4-3-8-6-17-7-12-8/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyOPEKMOJPGHWMQF-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.42
Rot. Bonds4

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

3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 64971150) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID64971150
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CCc2cscn2)C1=O
InChIInChI=1S/C11H15N3O2S/c1-2-9-11(16)14(5-10(15)13-9)4-3-8-6-17-7-12-8/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyOPEKMOJPGHWMQF-UHFFFAOYSA-N
XLogP0.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64956144
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
3-ethyl-1-[2-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64956994
3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971066
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
3-ethyl-1-pent-3-ynylpiperazine-2,5-dione
CID 116645631
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
CID 63824639
3-cyclopropyl-6-propan-2-yl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971209
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881
1-[(5-bromo-3-pyridinyl)methyl]-3-ethylpiperazine-2,5-dione
CID 104812805
3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619345

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 64971150) is 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is CCC1NC(=O)CN(CCc2cscn2)C1=O.
What is the InChIKey of 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is OPEKMOJPGHWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-9-11(16)14(5-10(15)13-9)4-3-8-6-17-7-12-8/h6-7,9H,2-5H2,1H3,(H,13,15).
What are the key properties of 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 253.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64971150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).