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

C7H5N3S — CID 19871284

IUPAC2-pyridin-3-yl-1,3,4-thiadiazole
SMILESc1cncc(-c2nncs2)c1
InChIInChI=1S/C7H5N3S/c1-2-6(4-8-3-1)7-10-9-5-11-7/h1-5H
InChIKeyLHKPFRPLLLCANE-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.60
Rot. Bonds1

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

2-pyridin-3-yl-1,3,4-thiadiazole (PubChem CID 19871284) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3,4-thiadiazole
PubChem CID19871284
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC Name2-pyridin-3-yl-1,3,4-thiadiazole
SMILESc1cncc(-c2nncs2)c1
InChIInChI=1S/C7H5N3S/c1-2-6(4-8-3-1)7-10-9-5-11-7/h1-5H
InChIKeyLHKPFRPLLLCANE-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 2-pyridin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-pyridin-3-yl-1,3,4-thiadiazole (CID 19871284) is 2-pyridin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyridin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-pyridin-3-yl-1,3,4-thiadiazole is c1cncc(-c2nncs2)c1.
What is the InChIKey of 2-pyridin-3-yl-1,3,4-thiadiazole?
The InChIKey is LHKPFRPLLLCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c1-2-6(4-8-3-1)7-10-9-5-11-7/h1-5H.
What are the key properties of 2-pyridin-3-yl-1,3,4-thiadiazole?
2-pyridin-3-yl-1,3,4-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 2-pyridin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 19871284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).