5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene

C12H7FN2S — CID 116532606

IUPAC5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
SMILESFc1ccc2c(c1)Cc1c-2nc2sccn12
InChIInChI=1S/C12H7FN2S/c13-8-1-2-9-7(5-8)6-10-11(9)14-12-15(10)3-4-16-12/h1-5H,6H2
InChIKeyXOVZYSUQAFLTMY-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.11
Rot. Bonds

About 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene

5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene (PubChem CID 116532606) has the molecular formula C12H7FN2S and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene.

Molecular Properties

Compound Name5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
PubChem CID116532606
Molecular FormulaC12H7FN2S
Molecular Weight230.27 g/mol
Exact Mass230.03
IUPAC Name5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
SMILESFc1ccc2c(c1)Cc1c-2nc2sccn12
InChIInChI=1S/C12H7FN2S/c13-8-1-2-9-7(5-8)6-10-11(9)14-12-15(10)3-4-16-12/h1-5H,6H2
InChIKeyXOVZYSUQAFLTMY-UHFFFAOYSA-N
XLogP3.11
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene?
The IUPAC name of 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene (CID 116532606) is 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene.
What is the SMILES notation for 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene?
The canonical SMILES for 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene is Fc1ccc2c(c1)Cc1c-2nc2sccn12.
What is the InChIKey of 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene?
The InChIKey is XOVZYSUQAFLTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2S/c13-8-1-2-9-7(5-8)6-10-11(9)14-12-15(10)3-4-16-12/h1-5H,6H2.
What are the key properties of 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene?
5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene has a molecular weight of 230.27 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene is sourced from PubChem (CID 116532606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).