3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C6H10N2O2S — CID 43236900

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESNC(=O)CCN1CCSC1=O
InChIInChI=1S/C6H10N2O2S/c7-5(9)1-2-8-3-4-11-6(8)10/h1-4H2,(H2,7,9)
InChIKeyDXDFQOWFYYEZKY-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.03
Rot. Bonds3

About 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 43236900) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID43236900
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESNC(=O)CCN1CCSC1=O
InChIInChI=1S/C6H10N2O2S/c7-5(9)1-2-8-3-4-11-6(8)10/h1-4H2,(H2,7,9)
InChIKeyDXDFQOWFYYEZKY-UHFFFAOYSA-N
XLogP0.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
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 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 43236900) is 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is NC(=O)CCN1CCSC1=O.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is DXDFQOWFYYEZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-5(9)1-2-8-3-4-11-6(8)10/h1-4H2,(H2,7,9).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 174.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 43236900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).