3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one

C13H17N5O2S — CID 18146014

IUPAC3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H17N5O2S/c19-12(10-18-7-8-21-13(18)20)17-5-3-16(4-6-17)11-9-14-1-2-15-11/h1-2,9H,3-8,10H2
InChIKeyLALISNUISPDILQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.29
Rot. Bonds3

About 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one

3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one (PubChem CID 18146014) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
PubChem CID18146014
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H17N5O2S/c19-12(10-18-7-8-21-13(18)20)17-5-3-16(4-6-17)11-9-14-1-2-15-11/h1-2,9H,3-8,10H2
InChIKeyLALISNUISPDILQ-UHFFFAOYSA-N
XLogP0.29
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one
CID 18154900
2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796063
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
(5E)-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 55518461
5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 18154885
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
8-bromo-1,3-dimethyl-9-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione
CID 55565821
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 62800155

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one (CID 18146014) is 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one is O=C(CN1CCSC1=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
The InChIKey is LALISNUISPDILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-12(10-18-7-8-21-13(18)20)17-5-3-16(4-6-17)11-9-14-1-2-15-11/h1-2,9H,3-8,10H2.
What are the key properties of 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one?
3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one has a molecular weight of 307.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 18146014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).