2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one

C12H22N2OS — CID 87830059

IUPAC2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCCC1SCC(=O)N1CCC1CCCCN1
InChIInChI=1S/C12H22N2OS/c1-2-12-14(11(15)9-16-12)8-6-10-5-3-4-7-13-10/h10,12-13H,2-9H2,1H3
InChIKeyCHHFLAAJIPYCPU-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.83
Rot. Bonds4

About 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one

2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 87830059) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID87830059
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCCC1SCC(=O)N1CCC1CCCCN1
InChIInChI=1S/C12H22N2OS/c1-2-12-14(11(15)9-16-12)8-6-10-5-3-4-7-13-10/h10,12-13H,2-9H2,1H3
InChIKeyCHHFLAAJIPYCPU-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one (CID 87830059) is 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one is CCC1SCC(=O)N1CCC1CCCCN1.
What is the InChIKey of 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is CHHFLAAJIPYCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-12-14(11(15)9-16-12)8-6-10-5-3-4-7-13-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one?
2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 242.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 87830059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).