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

C14H21N3O2S — CID 64970383

IUPAC3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CCc2nccs2)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-10-14(19)17(7-5-11-15-6-8-20-11)12(9(2)3)13(18)16-10/h6,8-10,12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyPIFLUPFHZFFZCS-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.45
Rot. Bonds5

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

3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64970383) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64970383
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CCc2nccs2)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-10-14(19)17(7-5-11-15-6-8-20-11)12(9(2)3)13(18)16-10/h6,8-10,12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyPIFLUPFHZFFZCS-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970456
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973279
3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106376935
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64970383) is 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CCc2nccs2)C1=O.
What is the InChIKey of 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is PIFLUPFHZFFZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-10-14(19)17(7-5-11-15-6-8-20-11)12(9(2)3)13(18)16-10/h6,8-10,12H,4-5,7H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64970383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).