5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one

C12H10FN3O2S — CID 80759023

IUPAC5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1ccnc1Sc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C12H10FN3O2S/c1-16-3-2-14-12(16)19-9-5-8-6(4-7(9)13)10(17)11(18)15-8/h2-5,10,17H,1H3,(H,15,18)
InChIKeyFWHYNFLXCVPAGK-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.70
Rot. Bonds2

About 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 80759023) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID80759023
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1ccnc1Sc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C12H10FN3O2S/c1-16-3-2-14-12(16)19-9-5-8-6(4-7(9)13)10(17)11(18)15-8/h2-5,10,17H,1H3,(H,15,18)
InChIKeyFWHYNFLXCVPAGK-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one (CID 80759023) is 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one is Cn1ccnc1Sc1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is FWHYNFLXCVPAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-16-3-2-14-12(16)19-9-5-8-6(4-7(9)13)10(17)11(18)15-8/h2-5,10,17H,1H3,(H,15,18).
What are the key properties of 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 279.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 80759023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).