1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C15H20N4O5S — CID 55949960

IUPAC1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1CSCC1=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H20N4O5S/c20-11-1-2-12(21)19(11)8-14(23)17-5-3-16(4-6-17)13(22)7-18-10-25-9-15(18)24/h1-10H2
InChIKeyQPSKDARWIWOJQU-UHFFFAOYSA-N
MW368.42 g/mol
LogP-1.66
Rot. Bonds4

About 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 55949960) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID55949960
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1CSCC1=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H20N4O5S/c20-11-1-2-12(21)19(11)8-14(23)17-5-3-16(4-6-17)13(22)7-18-10-25-9-15(18)24/h1-10H2
InChIKeyQPSKDARWIWOJQU-UHFFFAOYSA-N
XLogP-1.66
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-{2-[(S)-3-(methylthio)-1-pyrrolidinyl]-2-oxoethyl}-2,5-pyrrolidinedione
CID 97427165
1-[2-Oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 55949330
1-[2-[4-(2-Methylsulfanylethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 1716339
N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 161409061
1-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane
CID 177234344
5-[2-[4-[2-(2,4-Dioxo-1,3-thiazolidin-5-yl)acetyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 24134325
3-[2-Oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
CID 51110816
3-[3-Oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
CID 55438025
1-(2-(3-(Methylthio)pyrrolidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 72717821
3-(1-(2-(2,5-Dioxopyrrolidin-1-yl)acetyl)piperidin-4-yl)thiazolidine-2,4-dione
CID 76151564
1-[2-[(3R)-3-methylsulfanylpyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 97427164

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 55949960) is 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1CSCC1=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is QPSKDARWIWOJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c20-11-1-2-12(21)19(11)8-14(23)17-5-3-16(4-6-17)13(22)7-18-10-25-9-15(18)24/h1-10H2.
What are the key properties of 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 368.42 g/mol, XLogP of -1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55949960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).