4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene

C7H4N2S2 — CID 22153560

IUPAC4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene
SMILESc1cn2c(nc3cscc32)s1
InChIInChI=1S/C7H4N2S2/c1-2-11-7-8-5-3-10-4-6(5)9(1)7/h1-4H
InChIKeyPZFFJPKLHYEOOG-UHFFFAOYSA-N
MW180.26 g/mol
LogP2.61
Rot. Bonds

About 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene

4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene (PubChem CID 22153560) has the molecular formula C7H4N2S2 and a molecular weight of 180.26 g/mol. Its IUPAC name is 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene.

Molecular Properties

Compound Name4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene
PubChem CID22153560
Molecular FormulaC7H4N2S2
Molecular Weight180.26 g/mol
Exact Mass179.98
IUPAC Name4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene
SMILESc1cn2c(nc3cscc32)s1
InChIInChI=1S/C7H4N2S2/c1-2-11-7-8-5-3-10-4-6(5)9(1)7/h1-4H
InChIKeyPZFFJPKLHYEOOG-UHFFFAOYSA-N
XLogP2.61
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene 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

propan-1-ol;[1,3]thiazolo[3,2-a]benzimidazole
CID 90811856
[1,3]thiazolo[3,2-a]benzimidazole-6-carbaldehyde
CID 21019575
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane
CID 126758557
5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxylate
CID 7063408
2-propylisoindole-1,3-dione;[1,3]thiazolo[3,2-a]benzimidazole
CID 91314280
5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 67369478
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
5-aminoimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 83876178
5,6-ditert-butylimidazo[2,1-b][1,3]thiazole
CID 20628520

Frequently Asked Questions

What is the IUPAC name of 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene?
The IUPAC name of 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene (CID 22153560) is 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene.
What is the SMILES notation for 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene?
The canonical SMILES for 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene is c1cn2c(nc3cscc32)s1.
What is the InChIKey of 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene?
The InChIKey is PZFFJPKLHYEOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2S2/c1-2-11-7-8-5-3-10-4-6(5)9(1)7/h1-4H.
What are the key properties of 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene?
4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene has a molecular weight of 180.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,5,7,10-tetraene is sourced from PubChem (CID 22153560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).