3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole

C8H14N4S — CID 53403990

IUPAC3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCNCC2)n1
InChIInChI=1S/C8H14N4S/c1-2-7-10-8(13-11-7)12-5-3-9-4-6-12/h9H,2-6H2,1H3
InChIKeyXWASAOJLRJWZHK-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.51
Rot. Bonds2

About 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole

3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 53403990) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID53403990
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCNCC2)n1
InChIInChI=1S/C8H14N4S/c1-2-7-10-8(13-11-7)12-5-3-9-4-6-12/h9H,2-6H2,1H3
InChIKeyXWASAOJLRJWZHK-UHFFFAOYSA-N
XLogP0.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole (CID 53403990) is 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole is CCc1nsc(N2CCNCC2)n1.
What is the InChIKey of 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is XWASAOJLRJWZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-7-10-8(13-11-7)12-5-3-9-4-6-12/h9H,2-6H2,1H3.
What are the key properties of 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole?
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 198.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 53403990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).