5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione

C7H5N3S2 — CID 2732684

IUPAC5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(-c2ccccn2)s1
InChIInChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-3-1-2-4-8-5/h1-4H,(H,10,11)
InChIKeyNURSZUJTABWSTA-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.26
Rot. Bonds1

About 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione

5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione (PubChem CID 2732684) has the molecular formula C7H5N3S2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione
PubChem CID2732684
Molecular FormulaC7H5N3S2
Molecular Weight195.27 g/mol
Exact Mass194.99
IUPAC Name5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(-c2ccccn2)s1
InChIInChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-3-1-2-4-8-5/h1-4H,(H,10,11)
InChIKeyNURSZUJTABWSTA-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione (CID 2732684) is 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(-c2ccccn2)s1.
What is the InChIKey of 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is NURSZUJTABWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-3-1-2-4-8-5/h1-4H,(H,10,11).
What are the key properties of 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione?
5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 195.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 2732684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).