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

C8H12N2O4S — CID 22507186

IUPACethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sn(CC)c1=O
InChIInChI=1S/C8H12N2O4S/c1-3-10-7(12)9(8(13)15-10)5-6(11)14-4-2/h3-5H2,1-2H3
InChIKeyHGVFCXNFWMOXCC-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.35
Rot. Bonds4

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

ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate (PubChem CID 22507186) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate
PubChem CID22507186
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Nameethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sn(CC)c1=O
InChIInChI=1S/C8H12N2O4S/c1-3-10-7(12)9(8(13)15-10)5-6(11)14-4-2/h3-5H2,1-2H3
InChIKeyHGVFCXNFWMOXCC-UHFFFAOYSA-N
XLogP-0.35
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate (CID 22507186) is ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate is CCOC(=O)Cn1c(=O)sn(CC)c1=O.
What is the InChIKey of ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
The InChIKey is HGVFCXNFWMOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-3-10-7(12)9(8(13)15-10)5-6(11)14-4-2/h3-5H2,1-2H3.
What are the key properties of ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate?
ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate has a molecular weight of 232.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-3,5-dioxo-1,2,4-thiadiazolidin-4-yl)acetate is sourced from PubChem (CID 22507186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).