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

C11H13N5S — CID 68778093

IUPAC5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(N3CCNCC3)n2)nc1
InChIInChI=1S/C11H13N5S/c1-2-4-13-9(3-1)10-14-11(17-15-10)16-7-5-12-6-8-16/h1-4,12H,5-8H2
InChIKeyBZUAGKRRAIYBMJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.01
Rot. Bonds2

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

5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole (PubChem CID 68778093) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole
PubChem CID68778093
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(N3CCNCC3)n2)nc1
InChIInChI=1S/C11H13N5S/c1-2-4-13-9(3-1)10-14-11(17-15-10)16-7-5-12-6-8-16/h1-4,12H,5-8H2
InChIKeyBZUAGKRRAIYBMJ-UHFFFAOYSA-N
XLogP1.01
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole (CID 68778093) is 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole is c1ccc(-c2nsc(N3CCNCC3)n2)nc1.
What is the InChIKey of 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole?
The InChIKey is BZUAGKRRAIYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-2-4-13-9(3-1)10-14-11(17-15-10)16-7-5-12-6-8-16/h1-4,12H,5-8H2.
What are the key properties of 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole?
5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole has a molecular weight of 247.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-pyridin-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 68778093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).