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

C14H21N3O2S — CID 64970456

IUPAC6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CCc1nccs1
InChIInChI=1S/C14H21N3O2S/c1-4-10-13(18)16-12(9(2)3)14(19)17(10)7-5-11-15-6-8-20-11/h6,8-10,12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyWEVHMQGRKHEGIM-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.45
Rot. Bonds5

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

6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64970456) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64970456
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CCc1nccs1
InChIInChI=1S/C14H21N3O2S/c1-4-10-13(18)16-12(9(2)3)14(19)17(10)7-5-11-15-6-8-20-11/h6,8-10,12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyWEVHMQGRKHEGIM-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 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973279
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 65244955
3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971148

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64970456) is 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1CCc1nccs1.
What is the InChIKey of 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is WEVHMQGRKHEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-10-13(18)16-12(9(2)3)14(19)17(10)7-5-11-15-6-8-20-11/h6,8-10,12H,4-5,7H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
6-ethyl-3-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 6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64970456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).