2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid

C11H17N3O4S — CID 43521221

IUPAC2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C11H17N3O4S/c15-9(5-14-8-19-7-10(14)16)13-3-1-12(2-4-13)6-11(17)18/h1-8H2,(H,17,18)
InChIKeyCRPTXQNGMYZOOU-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.25
Rot. Bonds4

About 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid (PubChem CID 43521221) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid
PubChem CID43521221
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C11H17N3O4S/c15-9(5-14-8-19-7-10(14)16)13-3-1-12(2-4-13)6-11(17)18/h1-8H2,(H,17,18)
InChIKeyCRPTXQNGMYZOOU-UHFFFAOYSA-N
XLogP-1.25
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-Oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258141
2-(1-Methylidene-5-morpholin-4-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
CID 88678223
3-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 13853996
2-[Methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43356159
2-[[2-[[2-(4-Oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465288
2-[4-[2-(2-Methoxyethylsulfanyl)acetyl]piperazin-1-yl]acetic acid
CID 43521273
2-[4-(2-Propan-2-ylsulfanylacetyl)piperazin-1-yl]acetic acid
CID 43521356
2-[4-[3-(2-Oxo-1,3-thiazolidin-3-yl)propanoyl]piperazin-1-yl]acetic acid
CID 43521378
2-[4-(2-Methylsulfanylacetyl)piperazin-1-yl]acetic acid
CID 43521433
3-[4-[2-(4-Oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43521995
2-[Butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 54925918
2-[2-Methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 54969537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid (CID 43521221) is 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)CN2CSCC2=O)CC1.
What is the InChIKey of 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is CRPTXQNGMYZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c15-9(5-14-8-19-7-10(14)16)13-3-1-12(2-4-13)6-11(17)18/h1-8H2,(H,17,18).
What are the key properties of 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 287.34 g/mol, XLogP of -1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).