5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid

C9H9NO4S — CID 43649080

IUPAC5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCSC2=O)o1
InChIInChI=1S/C9H9NO4S/c11-8(12)7-2-1-6(14-7)5-10-3-4-15-9(10)13/h1-2H,3-5H2,(H,11,12)
InChIKeyYSJZKGQHBLGLRM-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.65
Rot. Bonds3

About 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid

5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 43649080) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid
PubChem CID43649080
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCSC2=O)o1
InChIInChI=1S/C9H9NO4S/c11-8(12)7-2-1-6(14-7)5-10-3-4-15-9(10)13/h1-2H,3-5H2,(H,11,12)
InChIKeyYSJZKGQHBLGLRM-UHFFFAOYSA-N
XLogP1.65
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid (CID 43649080) is 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCSC2=O)o1.
What is the InChIKey of 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is YSJZKGQHBLGLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c11-8(12)7-2-1-6(14-7)5-10-3-4-15-9(10)13/h1-2H,3-5H2,(H,11,12).
What are the key properties of 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid?
5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid has a molecular weight of 227.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3-thiazolidin-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 43649080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).