3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

C10H15N3O3S — CID 55219396

IUPAC3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCC1C(=O)NCCN1C(=O)CN1CSCC1=O
InChIInChI=1S/C10H15N3O3S/c1-7-10(16)11-2-3-13(7)8(14)4-12-6-17-5-9(12)15/h7H,2-6H2,1H3,(H,11,16)
InChIKeyJSOCYLXNQUETHT-UHFFFAOYSA-N
MW257.31 g/mol
LogP-1.13
Rot. Bonds2

About 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 55219396) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID55219396
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCC1C(=O)NCCN1C(=O)CN1CSCC1=O
InChIInChI=1S/C10H15N3O3S/c1-7-10(16)11-2-3-13(7)8(14)4-12-6-17-5-9(12)15/h7H,2-6H2,1H3,(H,11,16)
InChIKeyJSOCYLXNQUETHT-UHFFFAOYSA-N
XLogP-1.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63606730
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931
4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one
CID 79328041
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537
3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 56797721
3,3-dimethyl-5-[(2S)-2-methyl-3-oxopiperazin-1-yl]-5-oxopentanoic acid
CID 124555735
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 79028449
1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288927
3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 55219396) is 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is CC1C(=O)NCCN1C(=O)CN1CSCC1=O.
What is the InChIKey of 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is JSOCYLXNQUETHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-10(16)11-2-3-13(7)8(14)4-12-6-17-5-9(12)15/h7H,2-6H2,1H3,(H,11,16).
What are the key properties of 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 257.31 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 55219396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).