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

C15H26N4O2S — CID 51110816

IUPAC3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C15H26N4O2S/c20-14(13-19-11-12-22-15(19)21)18-9-7-17(8-10-18)6-5-16-3-1-2-4-16/h1-13H2
InChIKeyHVZBNGQEBZOOPX-UHFFFAOYSA-N
MW326.47 g/mol
LogP0.40
Rot. Bonds5

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

3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one (PubChem CID 51110816) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
PubChem CID51110816
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C15H26N4O2S/c20-14(13-19-11-12-22-15(19)21)18-9-7-17(8-10-18)6-5-16-3-1-2-4-16/h1-13H2
InChIKeyHVZBNGQEBZOOPX-UHFFFAOYSA-N
XLogP0.40
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.40
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-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one (CID 51110816) is 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one is O=C(CN1CCSC1=O)N1CCN(CCN2CCCC2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
The InChIKey is HVZBNGQEBZOOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c20-14(13-19-11-12-22-15(19)21)18-9-7-17(8-10-18)6-5-16-3-1-2-4-16/h1-13H2.
What are the key properties of 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one has a molecular weight of 326.47 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 51110816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).