4-(1,2,4-thiadiazol-5-yl)piperazin-2-one

C6H8N4OS — CID 130692977

IUPAC4-(1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESO=C1CN(c2ncns2)CCN1
InChIInChI=1S/C6H8N4OS/c11-5-3-10(2-1-7-5)6-8-4-9-12-6/h4H,1-3H2,(H,7,11)
InChIKeyQOAASDTYRPWIDW-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.53
Rot. Bonds1

About 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one

4-(1,2,4-thiadiazol-5-yl)piperazin-2-one (PubChem CID 130692977) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-5-yl)piperazin-2-one
PubChem CID130692977
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name4-(1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESO=C1CN(c2ncns2)CCN1
InChIInChI=1S/C6H8N4OS/c11-5-3-10(2-1-7-5)6-8-4-9-12-6/h4H,1-3H2,(H,7,11)
InChIKeyQOAASDTYRPWIDW-UHFFFAOYSA-N
XLogP-0.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one?
The IUPAC name of 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one (CID 130692977) is 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one.
What is the SMILES notation for 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one?
The canonical SMILES for 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one is O=C1CN(c2ncns2)CCN1.
What is the InChIKey of 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one?
The InChIKey is QOAASDTYRPWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c11-5-3-10(2-1-7-5)6-8-4-9-12-6/h4H,1-3H2,(H,7,11).
What are the key properties of 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one?
4-(1,2,4-thiadiazol-5-yl)piperazin-2-one has a molecular weight of 184.22 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-5-yl)piperazin-2-one is sourced from PubChem (CID 130692977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).