4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene

C11H8N2S — CID 155803293

IUPAC4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene
SMILESC1=CC=c2nc3c(cc2N=C1)=CCS3
InChIInChI=1S/C11H8N2S/c1-2-5-12-10-7-8-4-6-14-11(8)13-9(10)3-1/h1-5,7H,6H2
InChIKeyBEQDCBWQGUPCIE-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.02
Rot. Bonds

About 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene

4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene (PubChem CID 155803293) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene.

Molecular Properties

Compound Name4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene
PubChem CID155803293
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene
SMILESC1=CC=c2nc3c(cc2N=C1)=CCS3
InChIInChI=1S/C11H8N2S/c1-2-5-12-10-7-8-4-6-14-11(8)13-9(10)3-1/h1-5,7H,6H2
InChIKeyBEQDCBWQGUPCIE-UHFFFAOYSA-N
XLogP1.02
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene with MolForge

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Related Compounds

Indolo[6,7-d]thiophene
CID 129790170
3-Thia-7,12-diazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
CID 67626617
2H-thieno[2,3-f]indole
CID 67688592
9H-thieno[2,3-i][1,5]benzodiazepine
CID 68945229
2H-pyrrolo[2,3-i][1,5]benzothiazepine
CID 70122398
2H-[1,3]thiazolo[4,5-i][1]benzazepine
CID 70272819
6-Thia-11-azatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 87987409
2H-thieno[3,2-i][1]benzazepine
CID 121416106
6-Thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 139785585
3-Thia-14-azatricyclo[8.4.0.02,6]tetradeca-1,5,7,9,11,13-hexaene
CID 140563927
2H-thieno[3,2-i][3]benzazepine
CID 140968436
3-Thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
CID 140968629

Frequently Asked Questions

What is the IUPAC name of 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene?
The IUPAC name of 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene (CID 155803293) is 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene.
What is the SMILES notation for 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene?
The canonical SMILES for 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene is C1=CC=c2nc3c(cc2N=C1)=CCS3.
What is the InChIKey of 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene?
The InChIKey is BEQDCBWQGUPCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-5-12-10-7-8-4-6-14-11(8)13-9(10)3-1/h1-5,7H,6H2.
What are the key properties of 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene?
4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene has a molecular weight of 200.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thia-2,10-diazatricyclo[7.5.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene is sourced from PubChem (CID 155803293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).