5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one

C11H8FN3O2S2 — CID 80758323

IUPAC5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nsc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1
InChIInChI=1S/C11H8FN3O2S2/c1-4-13-11(19-15-4)18-8-3-7-5(2-6(8)12)9(16)10(17)14-7/h2-3,9,16H,1H3,(H,14,17)
InChIKeyBNEHVMKUOKTQCT-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.12
Rot. Bonds2

About 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 80758323) has the molecular formula C11H8FN3O2S2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID80758323
Molecular FormulaC11H8FN3O2S2
Molecular Weight297.34 g/mol
Exact Mass297.00
IUPAC Name5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nsc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1
InChIInChI=1S/C11H8FN3O2S2/c1-4-13-11(19-15-4)18-8-3-7-5(2-6(8)12)9(16)10(17)14-7/h2-3,9,16H,1H3,(H,14,17)
InChIKeyBNEHVMKUOKTQCT-UHFFFAOYSA-N
XLogP2.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 80758323) is 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1nsc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is BNEHVMKUOKTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2S2/c1-4-13-11(19-15-4)18-8-3-7-5(2-6(8)12)9(16)10(17)14-7/h2-3,9,16H,1H3,(H,14,17).
What are the key properties of 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 297.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).