7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene

C10H7NS — CID 172730871

IUPAC7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene
SMILESC1=Cc2c3c(sc2=C1)=CN=CC3
InChIInChI=1S/C10H7NS/c1-2-7-8-4-5-11-6-10(8)12-9(7)3-1/h1-3,5-6H,4H2
InChIKeyHTTRGZVBLBLXAG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.92
Rot. Bonds

About 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene

7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene (PubChem CID 172730871) has the molecular formula C10H7NS and a molecular weight of 173.24 g/mol. Its IUPAC name is 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene.

Molecular Properties

Compound Name7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene
PubChem CID172730871
Molecular FormulaC10H7NS
Molecular Weight173.24 g/mol
Exact Mass173.03
IUPAC Name7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene
SMILESC1=Cc2c3c(sc2=C1)=CN=CC3
InChIInChI=1S/C10H7NS/c1-2-7-8-4-5-11-6-10(8)12-9(7)3-1/h1-3,5-6H,4H2
InChIKeyHTTRGZVBLBLXAG-UHFFFAOYSA-N
XLogP0.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1lambda4-Thia-4,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,6,8,10-hexaene
CID 90707975
3-(3H-thiophen-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813750
7-Thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1,3,5,8,11-pentaene
CID 173086302
2,4-Dihydrothieno[2,3-c]pyridine
CID 176163637

Frequently Asked Questions

What is the IUPAC name of 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene?
The IUPAC name of 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene (CID 172730871) is 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene.
What is the SMILES notation for 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene?
The canonical SMILES for 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene is C1=Cc2c3c(sc2=C1)=CN=CC3.
What is the InChIKey of 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene?
The InChIKey is HTTRGZVBLBLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS/c1-2-7-8-4-5-11-6-10(8)12-9(7)3-1/h1-3,5-6H,4H2.
What are the key properties of 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene?
7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene has a molecular weight of 173.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaene is sourced from PubChem (CID 172730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).