2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid

C5H7NO3S — CID 18365886

IUPAC2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1CNC(=O)S1
InChIInChI=1S/C5H7NO3S/c7-4(8)1-3-2-6-5(9)10-3/h3H,1-2H2,(H,6,9)(H,7,8)
InChIKeyMXIFSOWBXWKCGP-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.29
Rot. Bonds2

About 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid

2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 18365886) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID18365886
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1CNC(=O)S1
InChIInChI=1S/C5H7NO3S/c7-4(8)1-3-2-6-5(9)10-3/h3H,1-2H2,(H,6,9)(H,7,8)
InChIKeyMXIFSOWBXWKCGP-UHFFFAOYSA-N
XLogP0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid (CID 18365886) is 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid is O=C(O)CC1CNC(=O)S1.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is MXIFSOWBXWKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c7-4(8)1-3-2-6-5(9)10-3/h3H,1-2H2,(H,6,9)(H,7,8).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid?
2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 18365886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).