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

C6H8N2O4S — CID 141348267

IUPACethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
SMILESCCOC(=O)NN1C(=O)CSC1=O
InChIInChI=1S/C6H8N2O4S/c1-2-12-5(10)7-8-4(9)3-13-6(8)11/h2-3H2,1H3,(H,7,10)
InChIKeyUNQOWZOWULXWDX-UHFFFAOYSA-N
MW204.21 g/mol
LogP0.34
Rot. Bonds2

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

ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate (PubChem CID 141348267) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
PubChem CID141348267
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Nameethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
SMILESCCOC(=O)NN1C(=O)CSC1=O
InChIInChI=1S/C6H8N2O4S/c1-2-12-5(10)7-8-4(9)3-13-6(8)11/h2-3H2,1H3,(H,7,10)
InChIKeyUNQOWZOWULXWDX-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 50.34
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 ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
The IUPAC name of ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate (CID 141348267) is ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate is CCOC(=O)NN1C(=O)CSC1=O.
What is the InChIKey of ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
The InChIKey is UNQOWZOWULXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-2-12-5(10)7-8-4(9)3-13-6(8)11/h2-3H2,1H3,(H,7,10).
What are the key properties of ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate?
ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate has a molecular weight of 204.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate is sourced from PubChem (CID 141348267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).