ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate

C8H12N2O2S2 — CID 169015862

IUPACethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1nsc(SCC)n1
InChIInChI=1S/C8H12N2O2S2/c1-3-12-7(11)5-6-9-8(13-4-2)14-10-6/h3-5H2,1-2H3
InChIKeyKTUUDTYDVQMCFI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds5

About ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate

ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate (PubChem CID 169015862) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate
PubChem CID169015862
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Nameethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1nsc(SCC)n1
InChIInChI=1S/C8H12N2O2S2/c1-3-12-7(11)5-6-9-8(13-4-2)14-10-6/h3-5H2,1-2H3
InChIKeyKTUUDTYDVQMCFI-UHFFFAOYSA-N
XLogP1.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate (CID 169015862) is ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate is CCOC(=O)Cc1nsc(SCC)n1.
What is the InChIKey of ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate?
The InChIKey is KTUUDTYDVQMCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-3-12-7(11)5-6-9-8(13-4-2)14-10-6/h3-5H2,1-2H3.
What are the key properties of ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate?
ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate has a molecular weight of 232.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethylsulfanyl-1,2,4-thiadiazol-3-yl)acetate is sourced from PubChem (CID 169015862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).