4-oxo-1,3-thiazolidine-2-carboxylic acid

C4H5NO3S — CID 5081553

IUPAC4-oxo-1,3-thiazolidine-2-carboxylic acid
SMILESO=C1CSC(C(=O)O)N1
InChIInChI=1S/C4H5NO3S/c6-2-1-9-3(5-2)4(7)8/h3H,1H2,(H,5,6)(H,7,8)
InChIKeyVCBWTURINQLAAL-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.74
Rot. Bonds1

About 4-oxo-1,3-thiazolidine-2-carboxylic acid

4-oxo-1,3-thiazolidine-2-carboxylic acid (PubChem CID 5081553) has the molecular formula C4H5NO3S and a molecular weight of 147.15 g/mol. Its IUPAC name is 4-oxo-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,3-thiazolidine-2-carboxylic acid
PubChem CID5081553
Molecular FormulaC4H5NO3S
Molecular Weight147.15 g/mol
Exact Mass147.00
IUPAC Name4-oxo-1,3-thiazolidine-2-carboxylic acid
SMILESO=C1CSC(C(=O)O)N1
InChIInChI=1S/C4H5NO3S/c6-2-1-9-3(5-2)4(7)8/h3H,1H2,(H,5,6)(H,7,8)
InChIKeyVCBWTURINQLAAL-UHFFFAOYSA-N
XLogP-0.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 4-oxo-1,3-thiazolidine-2-carboxylic acid (CID 5081553) is 4-oxo-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 4-oxo-1,3-thiazolidine-2-carboxylic acid is O=C1CSC(C(=O)O)N1.
What is the InChIKey of 4-oxo-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is VCBWTURINQLAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S/c6-2-1-9-3(5-2)4(7)8/h3H,1H2,(H,5,6)(H,7,8).
What are the key properties of 4-oxo-1,3-thiazolidine-2-carboxylic acid?
4-oxo-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 5081553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).