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

C7H5N3S — CID 22744082

IUPAC3-pyridin-2-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2ncsn2)nc1
InChIInChI=1S/C7H5N3S/c1-2-4-8-6(3-1)7-9-5-11-10-7/h1-5H
InChIKeyRFRSALCCKAHJRR-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.60
Rot. Bonds1

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

3-pyridin-2-yl-1,2,4-thiadiazole (PubChem CID 22744082) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-1,2,4-thiadiazole
PubChem CID22744082
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC Name3-pyridin-2-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2ncsn2)nc1
InChIInChI=1S/C7H5N3S/c1-2-4-8-6(3-1)7-9-5-11-10-7/h1-5H
InChIKeyRFRSALCCKAHJRR-UHFFFAOYSA-N
XLogP1.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-pyridin-2-yl-1,2,4-thiadiazole (CID 22744082) is 3-pyridin-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-pyridin-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-pyridin-2-yl-1,2,4-thiadiazole is c1ccc(-c2ncsn2)nc1.
What is the InChIKey of 3-pyridin-2-yl-1,2,4-thiadiazole?
The InChIKey is RFRSALCCKAHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c1-2-4-8-6(3-1)7-9-5-11-10-7/h1-5H.
What are the key properties of 3-pyridin-2-yl-1,2,4-thiadiazole?
3-pyridin-2-yl-1,2,4-thiadiazole has a molecular weight of 163.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 22744082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).