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

C12H10FN5O2S — CID 80746747

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3nnnn3C3CC3)c(F)cc2C1O
InChIInChI=1S/C12H10FN5O2S/c13-7-3-6-8(14-11(20)10(6)19)4-9(7)21-12-15-16-17-18(12)5-1-2-5/h3-5,10,19H,1-2H2,(H,14,20)
InChIKeyKHUZXWXKMBJDKB-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.28
Rot. Bonds3

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

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80746747) has the molecular formula C12H10FN5O2S and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80746747
Molecular FormulaC12H10FN5O2S
Molecular Weight307.31 g/mol
Exact Mass307.05
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3nnnn3C3CC3)c(F)cc2C1O
InChIInChI=1S/C12H10FN5O2S/c13-7-3-6-8(14-11(20)10(6)19)4-9(7)21-12-15-16-17-18(12)5-1-2-5/h3-5,10,19H,1-2H2,(H,14,20)
InChIKeyKHUZXWXKMBJDKB-UHFFFAOYSA-N
XLogP1.28
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80746747) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3nnnn3C3CC3)c(F)cc2C1O.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is KHUZXWXKMBJDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2S/c13-7-3-6-8(14-11(20)10(6)19)4-9(7)21-12-15-16-17-18(12)5-1-2-5/h3-5,10,19H,1-2H2,(H,14,20).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 307.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80746747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).