4-oxo-1,3-thiazolidine-2-carboxamide

C4H6N2O2S — CID 87540653

IUPAC4-oxo-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C1NC(=O)CS1
InChIInChI=1S/C4H6N2O2S/c5-3(8)4-6-2(7)1-9-4/h4H,1H2,(H2,5,8)(H,6,7)
InChIKeyQEFFLIKQBYHBAV-UHFFFAOYSA-N
MW146.17 g/mol
LogP-1.34
Rot. Bonds1

About 4-oxo-1,3-thiazolidine-2-carboxamide

4-oxo-1,3-thiazolidine-2-carboxamide (PubChem CID 87540653) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 4-oxo-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-1,3-thiazolidine-2-carboxamide
PubChem CID87540653
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name4-oxo-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C1NC(=O)CS1
InChIInChI=1S/C4H6N2O2S/c5-3(8)4-6-2(7)1-9-4/h4H,1H2,(H2,5,8)(H,6,7)
InChIKeyQEFFLIKQBYHBAV-UHFFFAOYSA-N
XLogP-1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-1.34
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-carboxamide?
The IUPAC name of 4-oxo-1,3-thiazolidine-2-carboxamide (CID 87540653) is 4-oxo-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 4-oxo-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 4-oxo-1,3-thiazolidine-2-carboxamide is NC(=O)C1NC(=O)CS1.
What is the InChIKey of 4-oxo-1,3-thiazolidine-2-carboxamide?
The InChIKey is QEFFLIKQBYHBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c5-3(8)4-6-2(7)1-9-4/h4H,1H2,(H2,5,8)(H,6,7).
What are the key properties of 4-oxo-1,3-thiazolidine-2-carboxamide?
4-oxo-1,3-thiazolidine-2-carboxamide has a molecular weight of 146.17 g/mol, XLogP of -1.34, 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-carboxamide is sourced from PubChem (CID 87540653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).