14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene

C13H8N2S — CID 3358015

IUPAC14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
SMILESc1ccc2c(c1)ccc1c2nc2sccn21
InChIInChI=1S/C13H8N2S/c1-2-4-10-9(3-1)5-6-11-12(10)14-13-15(11)7-8-16-13/h1-8H
InChIKeyFVFOXXUSGYEFGL-UHFFFAOYSA-N
MW224.29 g/mol
LogP3.70
Rot. Bonds

About 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene

14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene (PubChem CID 3358015) has the molecular formula C13H8N2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene.

Molecular Properties

Compound Name14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
PubChem CID3358015
Molecular FormulaC13H8N2S
Molecular Weight224.29 g/mol
Exact Mass224.04
IUPAC Name14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
SMILESc1ccc2c(c1)ccc1c2nc2sccn21
InChIInChI=1S/C13H8N2S/c1-2-4-10-9(3-1)5-6-11-12(10)14-13-15(11)7-8-16-13/h1-8H
InChIKeyFVFOXXUSGYEFGL-UHFFFAOYSA-N
XLogP3.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
The IUPAC name of 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene (CID 3358015) is 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene.
What is the SMILES notation for 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
The canonical SMILES for 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene is c1ccc2c(c1)ccc1c2nc2sccn21.
What is the InChIKey of 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
The InChIKey is FVFOXXUSGYEFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2S/c1-2-4-10-9(3-1)5-6-11-12(10)14-13-15(11)7-8-16-13/h1-8H.
What are the key properties of 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene has a molecular weight of 224.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene is sourced from PubChem (CID 3358015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).