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

C13H17N5O2S — CID 8834863

IUPAC3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17N5O2S/c19-11(8-18-10-21-9-12(18)20)16-4-6-17(7-5-16)13-14-2-1-3-15-13/h1-3H,4-10H2
InChIKeyXKWARBCSKJCGRJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.34
Rot. Bonds3

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

3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 8834863) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
PubChem CID8834863
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17N5O2S/c19-11(8-18-10-21-9-12(18)20)16-4-6-17(7-5-16)13-14-2-1-3-15-13/h1-3H,4-10H2
InChIKeyXKWARBCSKJCGRJ-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one (CID 8834863) is 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one is O=C(CN1CSCC1=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is XKWARBCSKJCGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-11(8-18-10-21-9-12(18)20)16-4-6-17(7-5-16)13-14-2-1-3-15-13/h1-3H,4-10H2.
What are the key properties of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 307.38 g/mol, XLogP of -0.34, 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-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8834863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).