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

C13H19N3O2S — CID 64966389

IUPAC3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(Cc2nc(C)cs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-4-9-13(18)16(10(5-2)12(17)15-9)6-11-14-8(3)7-19-11/h7,9-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyYQRSLJLVLIASIW-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.47
Rot. Bonds4

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

3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione (PubChem CID 64966389) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
PubChem CID64966389
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(Cc2nc(C)cs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-4-9-13(18)16(10(5-2)12(17)15-9)6-11-14-8(3)7-19-11/h7,9-10H,4-6H2,1-3H3,(H,15,17)
InChIKeyYQRSLJLVLIASIW-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969292
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64970882
1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902612
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973279
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973286
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione (CID 64966389) is 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(Cc2nc(C)cs2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is YQRSLJLVLIASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-9-13(18)16(10(5-2)12(17)15-9)6-11-14-8(3)7-19-11/h7,9-10H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.47, 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-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64966389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).