5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione

C11H6FN3O2S3 — CID 115383087

IUPAC5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCSc1nnc(Sc2cc3c(cc2F)C(=O)C(=O)N3)s1
InChIInChI=1S/C11H6FN3O2S3/c1-18-10-14-15-11(20-10)19-7-3-6-4(2-5(7)12)8(16)9(17)13-6/h2-3H,1H3,(H,13,16,17)
InChIKeyOISFPMWNRCWEPE-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.69
Rot. Bonds3

About 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione

5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 115383087) has the molecular formula C11H6FN3O2S3 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione
PubChem CID115383087
Molecular FormulaC11H6FN3O2S3
Molecular Weight327.39 g/mol
Exact Mass326.96
IUPAC Name5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCSc1nnc(Sc2cc3c(cc2F)C(=O)C(=O)N3)s1
InChIInChI=1S/C11H6FN3O2S3/c1-18-10-14-15-11(20-10)19-7-3-6-4(2-5(7)12)8(16)9(17)13-6/h2-3H,1H3,(H,13,16,17)
InChIKeyOISFPMWNRCWEPE-UHFFFAOYSA-N
XLogP2.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione (CID 115383087) is 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione is CSc1nnc(Sc2cc3c(cc2F)C(=O)C(=O)N3)s1.
What is the InChIKey of 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is OISFPMWNRCWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S3/c1-18-10-14-15-11(20-10)19-7-3-6-4(2-5(7)12)8(16)9(17)13-6/h2-3H,1H3,(H,13,16,17).
What are the key properties of 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 327.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 115383087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).