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

C11H9FN4O2S — CID 80758066

IUPAC5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2cc3c(cc2F)C(O)C(=O)N3)n[nH]1
InChIInChI=1S/C11H9FN4O2S/c1-4-13-11(16-15-4)19-8-3-7-5(2-6(8)12)9(17)10(18)14-7/h2-3,9,17H,1H3,(H,14,18)(H,13,15,16)
InChIKeyPYLZIIZQSFTLDW-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.39
Rot. Bonds2

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

5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 80758066) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID80758066
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2cc3c(cc2F)C(O)C(=O)N3)n[nH]1
InChIInChI=1S/C11H9FN4O2S/c1-4-13-11(16-15-4)19-8-3-7-5(2-6(8)12)9(17)10(18)14-7/h2-3,9,17H,1H3,(H,14,18)(H,13,15,16)
InChIKeyPYLZIIZQSFTLDW-UHFFFAOYSA-N
XLogP1.39
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 80758066) is 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1nc(Sc2cc3c(cc2F)C(O)C(=O)N3)n[nH]1.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is PYLZIIZQSFTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c1-4-13-11(16-15-4)19-8-3-7-5(2-6(8)12)9(17)10(18)14-7/h2-3,9,17H,1H3,(H,14,18)(H,13,15,16).
What are the key properties of 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).