2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

C9H14N2O4S — CID 27409952

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C9H14N2O4S/c1-2-10(3-4-12)7(13)5-11-8(14)6-16-9(11)15/h12H,2-6H2,1H3
InChIKeyLPEFNJVJCMHRED-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.48
Rot. Bonds5

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 27409952) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID27409952
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C9H14N2O4S/c1-2-10(3-4-12)7(13)5-11-8(14)6-16-9(11)15/h12H,2-6H2,1H3
InChIKeyLPEFNJVJCMHRED-UHFFFAOYSA-N
XLogP-0.48
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 27409952) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)CN1C(=O)CSC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is LPEFNJVJCMHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-2-10(3-4-12)7(13)5-11-8(14)6-16-9(11)15/h12H,2-6H2,1H3.
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 246.29 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 27409952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).