5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide

C10H8N2OS — CID 70528787

IUPAC5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide
SMILESO=S1CC=C2C1=CN=C1C=CC=CN21
InChIInChI=1S/C10H8N2OS/c13-14-6-4-8-9(14)7-11-10-3-1-2-5-12(8)10/h1-5,7H,6H2
InChIKeyFYNQAWIUWPLYAM-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.27
Rot. Bonds

About 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide

5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide (PubChem CID 70528787) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide.

Molecular Properties

Compound Name5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide
PubChem CID70528787
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide
SMILESO=S1CC=C2C1=CN=C1C=CC=CN21
InChIInChI=1S/C10H8N2OS/c13-14-6-4-8-9(14)7-11-10-3-1-2-5-12(8)10/h1-5,7H,6H2
InChIKeyFYNQAWIUWPLYAM-UHFFFAOYSA-N
XLogP1.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide with MolForge

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

Launch Full Analysis

Related Compounds

2H-cyclohepta[b]thiophene 1-oxide
CID 141147812
3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane
CID 176666508
2H-imidazo[1,2-a]pyridin-3-imine
CID 172840238
4H-pyrido[1,2-a]pyrimidine-2,3-dione
CID 23459858
9-pyridin-1-id-2-ylidene-1,7-diaza-8-azanidabicyclo[4.3.0]nona-2,4,6-triene
CID 154815637
(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 98095498
(3E)-3-ethylidene-N-methylimidazo[1,2-a]pyridin-2-imine
CID 164596143
3-sulfinyl-2H-indolizine
CID 175516315
quinolizino[4,3-c]quinolizine
CID 53254646
4H-pyrido[1,2-a]pyrimidine;pyrimidine
CID 162102862
[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 134243613
2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazine-4-thione
CID 3404374

Frequently Asked Questions

What is the IUPAC name of 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide?
The IUPAC name of 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide (CID 70528787) is 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide.
What is the SMILES notation for 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide?
The canonical SMILES for 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide is O=S1CC=C2C1=CN=C1C=CC=CN21.
What is the InChIKey of 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide?
The InChIKey is FYNQAWIUWPLYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-14-6-4-8-9(14)7-11-10-3-1-2-5-12(8)10/h1-5,7H,6H2.
What are the key properties of 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide?
5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide has a molecular weight of 204.25 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide is sourced from PubChem (CID 70528787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).