1,2,4-thiadiazol-3-yl acetate

C4H4N2O2S — CID 57227910

IUPAC1,2,4-thiadiazol-3-yl acetate
SMILESCC(=O)Oc1ncsn1
InChIInChI=1S/C4H4N2O2S/c1-3(7)8-4-5-2-9-6-4/h2H,1H3
InChIKeyUUCMPLCGPAYIFC-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.46
Rot. Bonds1

About 1,2,4-thiadiazol-3-yl acetate

1,2,4-thiadiazol-3-yl acetate (PubChem CID 57227910) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 1,2,4-thiadiazol-3-yl acetate.

Molecular Properties

Compound Name1,2,4-thiadiazol-3-yl acetate
PubChem CID57227910
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name1,2,4-thiadiazol-3-yl acetate
SMILESCC(=O)Oc1ncsn1
InChIInChI=1S/C4H4N2O2S/c1-3(7)8-4-5-2-9-6-4/h2H,1H3
InChIKeyUUCMPLCGPAYIFC-UHFFFAOYSA-N
XLogP0.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-thiadiazol-3-yl acetate?
The IUPAC name of 1,2,4-thiadiazol-3-yl acetate (CID 57227910) is 1,2,4-thiadiazol-3-yl acetate.
What is the SMILES notation for 1,2,4-thiadiazol-3-yl acetate?
The canonical SMILES for 1,2,4-thiadiazol-3-yl acetate is CC(=O)Oc1ncsn1.
What is the InChIKey of 1,2,4-thiadiazol-3-yl acetate?
The InChIKey is UUCMPLCGPAYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c1-3(7)8-4-5-2-9-6-4/h2H,1H3.
What are the key properties of 1,2,4-thiadiazol-3-yl acetate?
1,2,4-thiadiazol-3-yl acetate has a molecular weight of 144.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-thiadiazol-3-yl acetate is sourced from PubChem (CID 57227910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).