7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one

C10H5NOS — CID 90982059

IUPAC7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one
SMILESO=C1C=CN=c2sc3c(c21)C=CC=3
InChIInChI=1S/C10H5NOS/c12-7-4-5-11-10-9(7)6-2-1-3-8(6)13-10/h1-5H
InChIKeyCSCZOSLBHZOCAD-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.88
Rot. Bonds

About 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one

7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one (PubChem CID 90982059) has the molecular formula C10H5NOS and a molecular weight of 187.22 g/mol. Its IUPAC name is 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one.

Molecular Properties

Compound Name7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one
PubChem CID90982059
Molecular FormulaC10H5NOS
Molecular Weight187.22 g/mol
Exact Mass187.01
IUPAC Name7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one
SMILESO=C1C=CN=c2sc3c(c21)C=CC=3
InChIInChI=1S/C10H5NOS/c12-7-4-5-11-10-9(7)6-2-1-3-8(6)13-10/h1-5H
InChIKeyCSCZOSLBHZOCAD-UHFFFAOYSA-N
XLogP0.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one?
The IUPAC name of 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one (CID 90982059) is 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one.
What is the SMILES notation for 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one?
The canonical SMILES for 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one is O=C1C=CN=c2sc3c(c21)C=CC=3.
What is the InChIKey of 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one?
The InChIKey is CSCZOSLBHZOCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NOS/c12-7-4-5-11-10-9(7)6-2-1-3-8(6)13-10/h1-5H.
What are the key properties of 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one?
7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one has a molecular weight of 187.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1,3,5,8,10-pentaen-12-one is sourced from PubChem (CID 90982059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).