5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione

C10H4FN3O2S2 — CID 80758044

IUPAC5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncns3)c(F)cc2C1=O
InChIInChI=1S/C10H4FN3O2S2/c11-5-1-4-6(14-9(16)8(4)15)2-7(5)17-10-12-3-13-18-10/h1-3H,(H,14,15,16)
InChIKeyZOWDKPMGLDYRDB-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.96
Rot. Bonds2

About 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione

5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 80758044) has the molecular formula C10H4FN3O2S2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID80758044
Molecular FormulaC10H4FN3O2S2
Molecular Weight281.29 g/mol
Exact Mass280.97
IUPAC Name5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncns3)c(F)cc2C1=O
InChIInChI=1S/C10H4FN3O2S2/c11-5-1-4-6(14-9(16)8(4)15)2-7(5)17-10-12-3-13-18-10/h1-3H,(H,14,15,16)
InChIKeyZOWDKPMGLDYRDB-UHFFFAOYSA-N
XLogP1.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione (CID 80758044) is 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ncns3)c(F)cc2C1=O.
What is the InChIKey of 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is ZOWDKPMGLDYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FN3O2S2/c11-5-1-4-6(14-9(16)8(4)15)2-7(5)17-10-12-3-13-18-10/h1-3H,(H,14,15,16).
What are the key properties of 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione?
5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 281.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 80758044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).