2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide

C8H14N2O2S — CID 35807274

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCSC1=O
InChIInChI=1S/C8H14N2O2S/c1-6(2)9-7(11)5-10-3-4-13-8(10)12/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyGVZKDZCRBCRVON-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.68
Rot. Bonds3

About 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide

2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 35807274) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
PubChem CID35807274
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCSC1=O
InChIInChI=1S/C8H14N2O2S/c1-6(2)9-7(11)5-10-3-4-13-8(10)12/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyGVZKDZCRBCRVON-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.68
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 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide (CID 35807274) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCSC1=O.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is GVZKDZCRBCRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(2)9-7(11)5-10-3-4-13-8(10)12/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 202.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 35807274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).