18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione

C15H16N2O2S — CID 625680

IUPAC18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione
SMILESO=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3
InChIInChI=1S/C15H16N2O2S/c18-10-6-4-5-9-12-14(20-13(9)10)16-11-7-2-1-3-8-17(11)15(12)19/h1-8H2
InChIKeyFCICWTXGPVBTKU-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.70
Rot. Bonds

About 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione

18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione (PubChem CID 625680) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione.

Molecular Properties

Compound Name18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione
PubChem CID625680
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione
SMILESO=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3
InChIInChI=1S/C15H16N2O2S/c18-10-6-4-5-9-12-14(20-13(9)10)16-11-7-2-1-3-8-17(11)15(12)19/h1-8H2
InChIKeyFCICWTXGPVBTKU-UHFFFAOYSA-N
XLogP2.70
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione?
The IUPAC name of 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione (CID 625680) is 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione.
What is the SMILES notation for 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione?
The canonical SMILES for 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione is O=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3.
What is the InChIKey of 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione?
The InChIKey is FCICWTXGPVBTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-10-6-4-5-9-12-14(20-13(9)10)16-11-7-2-1-3-8-17(11)15(12)19/h1-8H2.
What are the key properties of 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione?
18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione has a molecular weight of 288.37 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione is sourced from PubChem (CID 625680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).