3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole

C13H17N5S — CID 133358660

IUPAC3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-2-12-15-13(19-16-12)18-9-7-17(8-10-18)11-3-5-14-6-4-11/h3-6H,2,7-10H2,1H3
InChIKeySKPGVYMRDKSYBM-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.82
Rot. Bonds3

About 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole

3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 133358660) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID133358660
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-2-12-15-13(19-16-12)18-9-7-17(8-10-18)11-3-5-14-6-4-11/h3-6H,2,7-10H2,1H3
InChIKeySKPGVYMRDKSYBM-UHFFFAOYSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole (CID 133358660) is 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is SKPGVYMRDKSYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-12-15-13(19-16-12)18-9-7-17(8-10-18)11-3-5-14-6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 275.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 133358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).