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

C10H8FN5O2S — CID 80759111

IUPAC5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C10H8FN5O2S/c1-16-10(13-14-15-16)19-7-3-6-4(2-5(7)11)8(17)9(18)12-6/h2-3,8,17H,1H3,(H,12,18)
InChIKeyIQTIXWOPNMQRAU-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.49
Rot. Bonds2

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

5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 80759111) has the molecular formula C10H8FN5O2S and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID80759111
Molecular FormulaC10H8FN5O2S
Molecular Weight281.27 g/mol
Exact Mass281.04
IUPAC Name5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C10H8FN5O2S/c1-16-10(13-14-15-16)19-7-3-6-4(2-5(7)11)8(17)9(18)12-6/h2-3,8,17H,1H3,(H,12,18)
InChIKeyIQTIXWOPNMQRAU-UHFFFAOYSA-N
XLogP0.49
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 80759111) is 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is Cn1nnnc1Sc1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is IQTIXWOPNMQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O2S/c1-16-10(13-14-15-16)19-7-3-6-4(2-5(7)11)8(17)9(18)12-6/h2-3,8,17H,1H3,(H,12,18).
What are the key properties of 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 281.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 80759111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).