1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone

C4H5N3OS — CID 23319479

IUPAC1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone
SMILESCC(=O)c1nsc(N)n1
InChIInChI=1S/C4H5N3OS/c1-2(8)3-6-4(5)9-7-3/h1H3,(H2,5,6,7)
InChIKeyNDGYHFOQIDOJAV-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.32
Rot. Bonds1

About 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone

1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone (PubChem CID 23319479) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone
PubChem CID23319479
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone
SMILESCC(=O)c1nsc(N)n1
InChIInChI=1S/C4H5N3OS/c1-2(8)3-6-4(5)9-7-3/h1H3,(H2,5,6,7)
InChIKeyNDGYHFOQIDOJAV-UHFFFAOYSA-N
XLogP0.32
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone?
The IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone (CID 23319479) is 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone is CC(=O)c1nsc(N)n1.
What is the InChIKey of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone?
The InChIKey is NDGYHFOQIDOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-2(8)3-6-4(5)9-7-3/h1H3,(H2,5,6,7).
What are the key properties of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone?
1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone has a molecular weight of 143.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 23319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).