11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C12H10N2S — CID 155661891

IUPAC11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc(C)c2c(n1)sc1cnccc12
InChIInChI=1S/C12H10N2S/c1-7-5-8(2)14-12-11(7)9-3-4-13-6-10(9)15-12/h3-6H,1-2H3
InChIKeyGQDONSXRMDMQDN-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.46
Rot. Bonds

About 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 155661891) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID155661891
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc(C)c2c(n1)sc1cnccc12
InChIInChI=1S/C12H10N2S/c1-7-5-8(2)14-12-11(7)9-3-4-13-6-10(9)15-12/h3-6H,1-2H3
InChIKeyGQDONSXRMDMQDN-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

Analyze 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

ethane;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123231832
ethane;2,4,6-trimethylthieno[2,3-b]pyridin-3-amine
CID 142528478
13-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 139824152
17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 156501515
[1]benzothiolo[2,3-c]pyridin-5-amine
CID 134527506
N,2-dimethyl-1,7-naphthyridin-4-amine;ethane
CID 142126179
[1]benzothiolo[2,3-c]pyridin-7-amine
CID 118861170
(4,5-dimethylthiophen-2-yl)-isoquinolin-5-ylmethanone
CID 114970959
3-methylthieno[2,3-c]pyridine-2-carboxamide
CID 141171273
5-methyl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076365
N,3-dimethyl-2,7-naphthyridin-1-amine
CID 89019478
ethane;2-methylthieno[3,2-c]pyridine
CID 144655773

Frequently Asked Questions

What is the IUPAC name of 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 155661891) is 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cc(C)c2c(n1)sc1cnccc12.
What is the InChIKey of 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is GQDONSXRMDMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-7-5-8(2)14-12-11(7)9-3-4-13-6-10(9)15-12/h3-6H,1-2H3.
What are the key properties of 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-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 11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 155661891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).