2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate

C7H8NO4S- — CID 5046225

IUPAC2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate
SMILESCCN1C(=O)SC(CC(=O)[O-])C1=O
InChIInChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/p-1
InChIKeyOEXQUQKCOPKASO-UHFFFAOYSA-M
MW202.21 g/mol
LogP-0.79
Rot. Bonds3

About 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate

2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate (PubChem CID 5046225) has the molecular formula C7H8NO4S- and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate
PubChem CID5046225
Molecular FormulaC7H8NO4S-
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Name2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate
SMILESCCN1C(=O)SC(CC(=O)[O-])C1=O
InChIInChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/p-1
InChIKeyOEXQUQKCOPKASO-UHFFFAOYSA-M
XLogP-0.79
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
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-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate?
The IUPAC name of 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate (CID 5046225) is 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate?
The canonical SMILES for 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate is CCN1C(=O)SC(CC(=O)[O-])C1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate?
The InChIKey is OEXQUQKCOPKASO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/p-1.
What are the key properties of 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate?
2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate has a molecular weight of 202.21 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetate is sourced from PubChem (CID 5046225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).