5-piperazin-1-yl-1,2,4-thiadiazol-3-amine

C6H11N5S — CID 71755701

IUPAC5-piperazin-1-yl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCNCC2)n1
InChIInChI=1S/C6H11N5S/c7-5-9-6(12-10-5)11-3-1-8-2-4-11/h8H,1-4H2,(H2,7,10)
InChIKeyKUHWHTNUSQJVKP-UHFFFAOYSA-N
MW185.26 g/mol
LogP-0.47
Rot. Bonds1

About 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine

5-piperazin-1-yl-1,2,4-thiadiazol-3-amine (PubChem CID 71755701) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-piperazin-1-yl-1,2,4-thiadiazol-3-amine
PubChem CID71755701
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name5-piperazin-1-yl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCNCC2)n1
InChIInChI=1S/C6H11N5S/c7-5-9-6(12-10-5)11-3-1-8-2-4-11/h8H,1-4H2,(H2,7,10)
InChIKeyKUHWHTNUSQJVKP-UHFFFAOYSA-N
XLogP-0.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine (CID 71755701) is 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCNCC2)n1.
What is the InChIKey of 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine?
The InChIKey is KUHWHTNUSQJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c7-5-9-6(12-10-5)11-3-1-8-2-4-11/h8H,1-4H2,(H2,7,10).
What are the key properties of 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine?
5-piperazin-1-yl-1,2,4-thiadiazol-3-amine has a molecular weight of 185.26 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 71755701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).