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

C6H8N2O2S — CID 21458513

IUPACethyl 2-(1,2,4-thiadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1ncsn1
InChIInChI=1S/C6H8N2O2S/c1-2-10-6(9)3-5-7-4-11-8-5/h4H,2-3H2,1H3
InChIKeyWZNPWENBYXMAHZ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.64
Rot. Bonds3

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

ethyl 2-(1,2,4-thiadiazol-3-yl)acetate (PubChem CID 21458513) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is ethyl 2-(1,2,4-thiadiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,4-thiadiazol-3-yl)acetate
PubChem CID21458513
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Nameethyl 2-(1,2,4-thiadiazol-3-yl)acetate
SMILESCCOC(=O)Cc1ncsn1
InChIInChI=1S/C6H8N2O2S/c1-2-10-6(9)3-5-7-4-11-8-5/h4H,2-3H2,1H3
InChIKeyWZNPWENBYXMAHZ-UHFFFAOYSA-N
XLogP0.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,4-thiadiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(1,2,4-thiadiazol-3-yl)acetate (CID 21458513) is ethyl 2-(1,2,4-thiadiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2,4-thiadiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1,2,4-thiadiazol-3-yl)acetate is CCOC(=O)Cc1ncsn1.
What is the InChIKey of ethyl 2-(1,2,4-thiadiazol-3-yl)acetate?
The InChIKey is WZNPWENBYXMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-10-6(9)3-5-7-4-11-8-5/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(1,2,4-thiadiazol-3-yl)acetate?
ethyl 2-(1,2,4-thiadiazol-3-yl)acetate has a molecular weight of 172.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,4-thiadiazol-3-yl)acetate is sourced from PubChem (CID 21458513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).