3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one

C16H26N4O3S — CID 55438025

IUPAC3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C16H26N4O3S/c21-14(3-6-20-11-12-24-16(20)23)19-9-7-17(8-10-19)13-15(22)18-4-1-2-5-18/h1-13H2
InChIKeyICUZRSFBJSSJJD-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.31
Rot. Bonds5

About 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one

3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one (PubChem CID 55438025) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
PubChem CID55438025
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C16H26N4O3S/c21-14(3-6-20-11-12-24-16(20)23)19-9-7-17(8-10-19)13-15(22)18-4-1-2-5-18/h1-13H2
InChIKeyICUZRSFBJSSJJD-UHFFFAOYSA-N
XLogP0.31
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one (CID 55438025) is 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one is O=C(CCN1CCSC1=O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
The InChIKey is ICUZRSFBJSSJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c21-14(3-6-20-11-12-24-16(20)23)19-9-7-17(8-10-19)13-15(22)18-4-1-2-5-18/h1-13H2.
What are the key properties of 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one?
3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one has a molecular weight of 354.48 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 55438025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).