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

C12H17N3O2S — CID 114140334

IUPAC6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1csc(C)n1
InChIInChI=1S/C12H17N3O2S/c1-3-10-12(17)13-6-11(16)15(10)5-4-9-7-18-8(2)14-9/h7,10H,3-6H2,1-2H3,(H,13,17)
InChIKeyLHEOSJMFJWYAJP-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.73
Rot. Bonds4

About 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione

6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 114140334) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID114140334
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1csc(C)n1
InChIInChI=1S/C12H17N3O2S/c1-3-10-12(17)13-6-11(16)15(10)5-4-9-7-18-8(2)14-9/h7,10H,3-6H2,1-2H3,(H,13,17)
InChIKeyLHEOSJMFJWYAJP-UHFFFAOYSA-N
XLogP0.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045871
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64878701
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445
3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 63600820
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
6-ethyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 64967343
1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
CID 106733638
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
CID 106042327

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 114140334) is 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCc1csc(C)n1.
What is the InChIKey of 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is LHEOSJMFJWYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-10-12(17)13-6-11(16)15(10)5-4-9-7-18-8(2)14-9/h7,10H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 114140334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).