5-(thiadiazol-4-yl)thiatriazole

C3HN5S2 — CID 68901680

IUPAC5-(thiadiazol-4-yl)thiatriazole
SMILESc1snnc1-c1nnns1
InChIInChI=1S/C3HN5S2/c1-2(4-7-9-1)3-5-6-8-10-3/h1H
InChIKeyJSUZCEJDHYADCU-UHFFFAOYSA-N
MW171.21 g/mol
LogP0.45
Rot. Bonds1

About 5-(thiadiazol-4-yl)thiatriazole

5-(thiadiazol-4-yl)thiatriazole (PubChem CID 68901680) has the molecular formula C3HN5S2 and a molecular weight of 171.21 g/mol. Its IUPAC name is 5-(thiadiazol-4-yl)thiatriazole.

Molecular Properties

Compound Name5-(thiadiazol-4-yl)thiatriazole
PubChem CID68901680
Molecular FormulaC3HN5S2
Molecular Weight171.21 g/mol
Exact Mass170.97
IUPAC Name5-(thiadiazol-4-yl)thiatriazole
SMILESc1snnc1-c1nnns1
InChIInChI=1S/C3HN5S2/c1-2(4-7-9-1)3-5-6-8-10-3/h1H
InChIKeyJSUZCEJDHYADCU-UHFFFAOYSA-N
XLogP0.45
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(thiadiazol-4-yl)thiatriazole?
The IUPAC name of 5-(thiadiazol-4-yl)thiatriazole (CID 68901680) is 5-(thiadiazol-4-yl)thiatriazole.
What is the SMILES notation for 5-(thiadiazol-4-yl)thiatriazole?
The canonical SMILES for 5-(thiadiazol-4-yl)thiatriazole is c1snnc1-c1nnns1.
What is the InChIKey of 5-(thiadiazol-4-yl)thiatriazole?
The InChIKey is JSUZCEJDHYADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HN5S2/c1-2(4-7-9-1)3-5-6-8-10-3/h1H.
What are the key properties of 5-(thiadiazol-4-yl)thiatriazole?
5-(thiadiazol-4-yl)thiatriazole has a molecular weight of 171.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiadiazol-4-yl)thiatriazole is sourced from PubChem (CID 68901680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).