5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene

C11H10N2S — CID 12569244

IUPAC5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
SMILESc1ccc2c(c1)CCCc1snnc1-2
InChIInChI=1S/C11H10N2S/c1-2-6-9-8(4-1)5-3-7-10-11(9)12-13-14-10/h1-2,4,6H,3,5,7H2
InChIKeyFGCAVTOBOQHHSU-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.69
Rot. Bonds

About 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene

5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene (PubChem CID 12569244) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene.

Molecular Properties

Compound Name5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
PubChem CID12569244
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
SMILESc1ccc2c(c1)CCCc1snnc1-2
InChIInChI=1S/C11H10N2S/c1-2-6-9-8(4-1)5-3-7-10-11(9)12-13-14-10/h1-2,4,6H,3,5,7H2
InChIKeyFGCAVTOBOQHHSU-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
The IUPAC name of 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene (CID 12569244) is 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene.
What is the SMILES notation for 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
The canonical SMILES for 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene is c1ccc2c(c1)CCCc1snnc1-2.
What is the InChIKey of 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
The InChIKey is FGCAVTOBOQHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-6-9-8(4-1)5-3-7-10-11(9)12-13-14-10/h1-2,4,6H,3,5,7H2.
What are the key properties of 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene has a molecular weight of 202.28 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thia-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene is sourced from PubChem (CID 12569244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).