5-fluoro-4-phenylthiadiazole

C8H5FN2S — CID 54465613

IUPAC5-fluoro-4-phenylthiadiazole
SMILESFc1snnc1-c1ccccc1
InChIInChI=1S/C8H5FN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyXEPROQWEQYYVIN-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.34
Rot. Bonds1

About 5-fluoro-4-phenylthiadiazole

5-fluoro-4-phenylthiadiazole (PubChem CID 54465613) has the molecular formula C8H5FN2S and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-fluoro-4-phenylthiadiazole.

Molecular Properties

Compound Name5-fluoro-4-phenylthiadiazole
PubChem CID54465613
Molecular FormulaC8H5FN2S
Molecular Weight180.21 g/mol
Exact Mass180.02
IUPAC Name5-fluoro-4-phenylthiadiazole
SMILESFc1snnc1-c1ccccc1
InChIInChI=1S/C8H5FN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyXEPROQWEQYYVIN-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-phenylthiadiazole?
The IUPAC name of 5-fluoro-4-phenylthiadiazole (CID 54465613) is 5-fluoro-4-phenylthiadiazole.
What is the SMILES notation for 5-fluoro-4-phenylthiadiazole?
The canonical SMILES for 5-fluoro-4-phenylthiadiazole is Fc1snnc1-c1ccccc1.
What is the InChIKey of 5-fluoro-4-phenylthiadiazole?
The InChIKey is XEPROQWEQYYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-fluoro-4-phenylthiadiazole?
5-fluoro-4-phenylthiadiazole has a molecular weight of 180.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-phenylthiadiazole is sourced from PubChem (CID 54465613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).