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

C14H19N5O2S — CID 18154900

IUPAC3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H19N5O2S/c20-13(1-4-19-9-10-22-14(19)21)18-7-5-17(6-8-18)12-11-15-2-3-16-12/h2-3,11H,1,4-10H2
InChIKeyLUAGWQWABQQTRT-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.68
Rot. Bonds4

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

3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one (PubChem CID 18154900) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one
PubChem CID18154900
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one
SMILESO=C(CCN1CCSC1=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H19N5O2S/c20-13(1-4-19-9-10-22-14(19)21)18-7-5-17(6-8-18)12-11-15-2-3-16-12/h2-3,11H,1,4-10H2
InChIKeyLUAGWQWABQQTRT-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.68
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-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 18146014
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-(4-pyrazin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 32646883
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 38497213
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796063
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 62800155
N-methyl-4-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 32646466
3-[1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidin-4-yl]propanoic acid
CID 62217303

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one (CID 18154900) is 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one is O=C(CCN1CCSC1=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one?
The InChIKey is LUAGWQWABQQTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c20-13(1-4-19-9-10-22-14(19)21)18-7-5-17(6-8-18)12-11-15-2-3-16-12/h2-3,11H,1,4-10H2.
What are the key properties of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one?
3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one has a molecular weight of 321.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 18154900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).