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

C12H10FN3O2S2 — CID 80758235

IUPAC6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCc1nsc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1
InChIInChI=1S/C12H10FN3O2S2/c1-2-9-15-12(20-16-9)19-8-4-7-5(3-6(8)13)10(17)11(18)14-7/h3-4,10,17H,2H2,1H3,(H,14,18)
InChIKeyIPMQVBCOQNGBLC-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.38
Rot. Bonds3

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

6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758235) has the molecular formula C12H10FN3O2S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758235
Molecular FormulaC12H10FN3O2S2
Molecular Weight311.36 g/mol
Exact Mass311.02
IUPAC Name6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCc1nsc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1
InChIInChI=1S/C12H10FN3O2S2/c1-2-9-15-12(20-16-9)19-8-4-7-5(3-6(8)13)10(17)11(18)14-7/h3-4,10,17H,2H2,1H3,(H,14,18)
InChIKeyIPMQVBCOQNGBLC-UHFFFAOYSA-N
XLogP2.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758235) is 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is CCc1nsc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1.
What is the InChIKey of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is IPMQVBCOQNGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S2/c1-2-9-15-12(20-16-9)19-8-4-7-5(3-6(8)13)10(17)11(18)14-7/h3-4,10,17H,2H2,1H3,(H,14,18).
What are the key properties of 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 311.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).