2-(1,3-thiazolidin-3-yl)acetate

C5H8NO2S- — CID 18365947

IUPAC2-(1,3-thiazolidin-3-yl)acetate
SMILESO=C([O-])CN1CCSC1
InChIInChI=1S/C5H9NO2S/c7-5(8)3-6-1-2-9-4-6/h1-4H2,(H,7,8)/p-1
InChIKeyGEJBGTIMCSAZDW-UHFFFAOYSA-M
MW146.19 g/mol
LogP-1.26
Rot. Bonds2

About 2-(1,3-thiazolidin-3-yl)acetate

2-(1,3-thiazolidin-3-yl)acetate (PubChem CID 18365947) has the molecular formula C5H8NO2S- and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name2-(1,3-thiazolidin-3-yl)acetate
PubChem CID18365947
Molecular FormulaC5H8NO2S-
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name2-(1,3-thiazolidin-3-yl)acetate
SMILESO=C([O-])CN1CCSC1
InChIInChI=1S/C5H9NO2S/c7-5(8)3-6-1-2-9-4-6/h1-4H2,(H,7,8)/p-1
InChIKeyGEJBGTIMCSAZDW-UHFFFAOYSA-M
XLogP-1.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-3-yl)acetate?
The IUPAC name of 2-(1,3-thiazolidin-3-yl)acetate (CID 18365947) is 2-(1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for 2-(1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for 2-(1,3-thiazolidin-3-yl)acetate is O=C([O-])CN1CCSC1.
What is the InChIKey of 2-(1,3-thiazolidin-3-yl)acetate?
The InChIKey is GEJBGTIMCSAZDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO2S/c7-5(8)3-6-1-2-9-4-6/h1-4H2,(H,7,8)/p-1.
What are the key properties of 2-(1,3-thiazolidin-3-yl)acetate?
2-(1,3-thiazolidin-3-yl)acetate has a molecular weight of 146.19 g/mol, XLogP of -1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 18365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).