5-fluoro-2,1,3-benzothiadiazole

C6H3FN2S — CID 2737263

IUPAC5-fluoro-2,1,3-benzothiadiazole
SMILESFc1ccc2nsnc2c1
InChIInChI=1S/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKeyLNZHAYNBUMVVBK-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.83
Rot. Bonds

About 5-fluoro-2,1,3-benzothiadiazole

5-fluoro-2,1,3-benzothiadiazole (PubChem CID 2737263) has the molecular formula C6H3FN2S and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-fluoro-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-fluoro-2,1,3-benzothiadiazole
PubChem CID2737263
Molecular FormulaC6H3FN2S
Molecular Weight154.17 g/mol
Exact Mass154.00
IUPAC Name5-fluoro-2,1,3-benzothiadiazole
SMILESFc1ccc2nsnc2c1
InChIInChI=1S/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKeyLNZHAYNBUMVVBK-UHFFFAOYSA-N
XLogP1.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,1,3-benzothiadiazole?
The IUPAC name of 5-fluoro-2,1,3-benzothiadiazole (CID 2737263) is 5-fluoro-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-fluoro-2,1,3-benzothiadiazole?
The canonical SMILES for 5-fluoro-2,1,3-benzothiadiazole is Fc1ccc2nsnc2c1.
What is the InChIKey of 5-fluoro-2,1,3-benzothiadiazole?
The InChIKey is LNZHAYNBUMVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H.
What are the key properties of 5-fluoro-2,1,3-benzothiadiazole?
5-fluoro-2,1,3-benzothiadiazole has a molecular weight of 154.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 2737263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).