3,5-dipyridin-3-yl-1,2,4-thiadiazole

C12H8N4S — CID 10538018

IUPAC3,5-dipyridin-3-yl-1,2,4-thiadiazole
SMILESc1cncc(-c2nsc(-c3cccnc3)n2)c1
InChIInChI=1S/C12H8N4S/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H
InChIKeyPJSNUISYDHNJTG-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.66
Rot. Bonds2

About 3,5-dipyridin-3-yl-1,2,4-thiadiazole

3,5-dipyridin-3-yl-1,2,4-thiadiazole (PubChem CID 10538018) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3,5-dipyridin-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-dipyridin-3-yl-1,2,4-thiadiazole
PubChem CID10538018
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name3,5-dipyridin-3-yl-1,2,4-thiadiazole
SMILESc1cncc(-c2nsc(-c3cccnc3)n2)c1
InChIInChI=1S/C12H8N4S/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H
InChIKeyPJSNUISYDHNJTG-UHFFFAOYSA-N
XLogP2.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-3-yl-1,2,4-thiadiazole?
The IUPAC name of 3,5-dipyridin-3-yl-1,2,4-thiadiazole (CID 10538018) is 3,5-dipyridin-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-dipyridin-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 3,5-dipyridin-3-yl-1,2,4-thiadiazole is c1cncc(-c2nsc(-c3cccnc3)n2)c1.
What is the InChIKey of 3,5-dipyridin-3-yl-1,2,4-thiadiazole?
The InChIKey is PJSNUISYDHNJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H.
What are the key properties of 3,5-dipyridin-3-yl-1,2,4-thiadiazole?
3,5-dipyridin-3-yl-1,2,4-thiadiazole has a molecular weight of 240.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 10538018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).