1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone

C8H12N4OS — CID 57098981

IUPAC1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncsn2)CC1
InChIInChI=1S/C8H12N4OS/c1-7(13)11-2-4-12(5-3-11)8-9-6-14-10-8/h6H,2-5H2,1H3
InChIKeyBECOXOPCOZAKCY-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.21
Rot. Bonds1

About 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone

1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 57098981) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone
PubChem CID57098981
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncsn2)CC1
InChIInChI=1S/C8H12N4OS/c1-7(13)11-2-4-12(5-3-11)8-9-6-14-10-8/h6H,2-5H2,1H3
InChIKeyBECOXOPCOZAKCY-UHFFFAOYSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone (CID 57098981) is 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncsn2)CC1.
What is the InChIKey of 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone?
The InChIKey is BECOXOPCOZAKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-7(13)11-2-4-12(5-3-11)8-9-6-14-10-8/h6H,2-5H2,1H3.
What are the key properties of 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone?
1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 212.28 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,4-thiadiazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57098981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).