[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone

C13H18N4O3S — CID 141316031

IUPAC[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(N2CCCS2(=O)=O)nc1)N1CCNCC1
InChIInChI=1S/C13H18N4O3S/c18-13(16-7-4-14-5-8-16)11-2-3-12(15-10-11)17-6-1-9-21(17,19)20/h2-3,10,14H,1,4-9H2
InChIKeyLZMCGIIVTGCAKD-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.33
Rot. Bonds2

About [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone

[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 141316031) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID141316031
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(N2CCCS2(=O)=O)nc1)N1CCNCC1
InChIInChI=1S/C13H18N4O3S/c18-13(16-7-4-14-5-8-16)11-2-3-12(15-10-11)17-6-1-9-21(17,19)20/h2-3,10,14H,1,4-9H2
InChIKeyLZMCGIIVTGCAKD-UHFFFAOYSA-N
XLogP-0.33
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone (CID 141316031) is [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone is O=C(c1ccc(N2CCCS2(=O)=O)nc1)N1CCNCC1.
What is the InChIKey of [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is LZMCGIIVTGCAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c18-13(16-7-4-14-5-8-16)11-2-3-12(15-10-11)17-6-1-9-21(17,19)20/h2-3,10,14H,1,4-9H2.
What are the key properties of [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 310.38 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 141316031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).