3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

C9H17N3OS — CID 82509156

IUPAC3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCN1CCNCC1
InChIInChI=1S/C9H17N3OS/c13-9-7-14-8-12(9)6-5-11-3-1-10-2-4-11/h10H,1-8H2
InChIKeyUJOIJNBSTQXKDW-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.58
Rot. Bonds3

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

3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 82509156) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID82509156
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCN1CCNCC1
InChIInChI=1S/C9H17N3OS/c13-9-7-14-8-12(9)6-5-11-3-1-10-2-4-11/h10H,1-8H2
InChIKeyUJOIJNBSTQXKDW-UHFFFAOYSA-N
XLogP-0.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylthio)-1-(piperazin-1-yl)ethan-1-one
CID 28776598
2-(2-Aminoethylsulfanyl)-2-fluoro-1-piperazin-1-ylethanone
CID 153586717
5-(3-Oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione
CID 142623450
Tetrahydro-2H-thiazolo[3,2-a]pyrazin-3(5H)-one
CID 15225456
S-(2-acetamidoethyl) 4-methylpiperazine-1-carbothioate
CID 54292163
3-(2-Aminoethyl)-1,3-thiazolidin-4-one
CID 58333871
N-(2-thiomorpholin-4-ylethyl)acetamide
CID 58837118
2-Cyclopentylsulfanyl-1-piperazin-1-ylethanone
CID 63115302
1-[5-[(2-Aminoethylamino)methyl]-1,3-thiazolidin-3-yl]ethanone
CID 70458221
5-(4-Acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione
CID 87386920
S-(2-acetamidoethyl) 1-methylpiperazin-1-ium-1-carbothioate
CID 124124892
3-(2-Aminoethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 141258240

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (CID 82509156) is 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSCN1CCN1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is UJOIJNBSTQXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c13-9-7-14-8-12(9)6-5-11-3-1-10-2-4-11/h10H,1-8H2.
What are the key properties of 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 215.32 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 82509156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).