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

C13H9FN2S — CID 116532607

IUPAC5-fluoro-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
SMILESCc1csc2nc3c(n12)Cc1cc(F)ccc1-3
InChIInChI=1S/C13H9FN2S/c1-7-6-17-13-15-12-10-3-2-9(14)4-8(10)5-11(12)16(7)13/h2-4,6H,5H2,1H3
InChIKeyGVLQHMJVJXNCRD-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.41
Rot. Bonds

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

5-fluoro-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene (PubChem CID 116532607) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-fluoro-11-methyl-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-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
PubChem CID116532607
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name5-fluoro-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
SMILESCc1csc2nc3c(n12)Cc1cc(F)ccc1-3
InChIInChI=1S/C13H9FN2S/c1-7-6-17-13-15-12-10-3-2-9(14)4-8(10)5-11(12)16(7)13/h2-4,6H,5H2,1H3
InChIKeyGVLQHMJVJXNCRD-UHFFFAOYSA-N
XLogP3.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-11-methyl-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-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene (CID 116532607) is 5-fluoro-11-methyl-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-11-methyl-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-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene is Cc1csc2nc3c(n12)Cc1cc(F)ccc1-3.
What is the InChIKey of 5-fluoro-11-methyl-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 GVLQHMJVJXNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c1-7-6-17-13-15-12-10-3-2-9(14)4-8(10)5-11(12)16(7)13/h2-4,6H,5H2,1H3.
What are the key properties of 5-fluoro-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene?
5-fluoro-11-methyl-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 244.29 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-11-methyl-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 116532607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).