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

C6H8N2O4S — CID 143220619

IUPACethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate
SMILESCCOC(=O)Cn1sc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O4S/c1-2-12-4(9)3-8-5(10)7-6(11)13-8/h2-3H2,1H3,(H,7,10,11)
InChIKeyVVLIQXCCFAMOOS-UHFFFAOYSA-N
MW204.21 g/mol
LogP-0.84
Rot. Bonds3

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

ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate (PubChem CID 143220619) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate
PubChem CID143220619
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Nameethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate
SMILESCCOC(=O)Cn1sc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O4S/c1-2-12-4(9)3-8-5(10)7-6(11)13-8/h2-3H2,1H3,(H,7,10,11)
InChIKeyVVLIQXCCFAMOOS-UHFFFAOYSA-N
XLogP-0.84
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate (CID 143220619) is ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate is CCOC(=O)Cn1sc(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate?
The InChIKey is VVLIQXCCFAMOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-2-12-4(9)3-8-5(10)7-6(11)13-8/h2-3H2,1H3,(H,7,10,11).
What are the key properties of ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate?
ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate has a molecular weight of 204.21 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)acetate is sourced from PubChem (CID 143220619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).