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

C11H10N2S — CID 11106418

IUPAC4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
SMILESc1ccc2c(c1)CCCc1nsnc1-2
InChIInChI=1S/C11H10N2S/c1-2-6-9-8(4-1)5-3-7-10-11(9)13-14-12-10/h1-2,4,6H,3,5,7H2
InChIKeyXFARYRCTPIYGOX-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.69
Rot. Bonds

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

4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene (PubChem CID 11106418) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene.

Molecular Properties

Compound Name4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
PubChem CID11106418
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
SMILESc1ccc2c(c1)CCCc1nsnc1-2
InChIInChI=1S/C11H10N2S/c1-2-6-9-8(4-1)5-3-7-10-11(9)13-14-12-10/h1-2,4,6H,3,5,7H2
InChIKeyXFARYRCTPIYGOX-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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Related Compounds

3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
3-Methyl-4-phenyl-1,2,5-thiadiazole
CID 12503516
3-Fluoro-4-phenyl-1,2,5-thiadiazole
CID 13537735
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-Selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
CID 12682367
4,5-Dihydrobenzo[e][2,1,3]benzothiadiazole
CID 85788273
3-Methyl-4-phenyl-1,2,5-selenadiazole
CID 101663610
3-Butyl-4-phenyl-1,2,5-thiadiazole
CID 12689837
3-Fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole
CID 10845487
3,4-Bis(4-fluorophenyl)-1,2,5-thiadiazole
CID 165176009
3-Ethyl-4-phenyl-[1,2,5]thiadiazole
CID 21829043
3-Benzyl-4-phenyl-1,2,5-thiadiazole
CID 12503517

Frequently Asked Questions

What is the IUPAC name of 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
The IUPAC name of 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene (CID 11106418) is 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene.
What is the SMILES notation for 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
The canonical SMILES for 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene is c1ccc2c(c1)CCCc1nsnc1-2.
What is the InChIKey of 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
The InChIKey is XFARYRCTPIYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-6-9-8(4-1)5-3-7-10-11(9)13-14-12-10/h1-2,4,6H,3,5,7H2.
What are the key properties of 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene?
4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-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 4-thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene is sourced from PubChem (CID 11106418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).