6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C12H10N2S — CID 13142901

IUPAC6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccnc2c1sc1c(C)ccnc12
InChIInChI=1S/C12H10N2S/c1-7-3-5-13-9-10-12(15-11(7)9)8(2)4-6-14-10/h3-6H,1-2H3
InChIKeyZESNVVFLMOLUEF-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.46
Rot. Bonds

About 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 13142901) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID13142901
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccnc2c1sc1c(C)ccnc12
InChIInChI=1S/C12H10N2S/c1-7-3-5-13-9-10-12(15-11(7)9)8(2)4-6-14-10/h3-6H,1-2H3
InChIKeyZESNVVFLMOLUEF-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 13142901) is 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is Cc1ccnc2c1sc1c(C)ccnc12.
What is the InChIKey of 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is ZESNVVFLMOLUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-7-3-5-13-9-10-12(15-11(7)9)8(2)4-6-14-10/h3-6H,1-2H3.
What are the key properties of 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 214.29 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 13142901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).