ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate

C10H14N2O6S — CID 11551024

IUPACethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate
SMILESCCOC(=O)Cn1sc(=O)n(CC(=O)OCC)c1=O
InChIInChI=1S/C10H14N2O6S/c1-3-17-7(13)5-11-9(15)12(19-10(11)16)6-8(14)18-4-2/h3-6H2,1-2H3
InChIKeyLYVSKRWQIOLNKN-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.80
Rot. Bonds6

About ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate

ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate (PubChem CID 11551024) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate
PubChem CID11551024
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate
SMILESCCOC(=O)Cn1sc(=O)n(CC(=O)OCC)c1=O
InChIInChI=1S/C10H14N2O6S/c1-3-17-7(13)5-11-9(15)12(19-10(11)16)6-8(14)18-4-2/h3-6H2,1-2H3
InChIKeyLYVSKRWQIOLNKN-UHFFFAOYSA-N
XLogP-0.80
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate (CID 11551024) is ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate is CCOC(=O)Cn1sc(=O)n(CC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate?
The InChIKey is LYVSKRWQIOLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-3-17-7(13)5-11-9(15)12(19-10(11)16)6-8(14)18-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate?
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate has a molecular weight of 290.30 g/mol, XLogP of -0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]acetate is sourced from PubChem (CID 11551024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).