5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione

C19H14N2O4S — CID 3748290

IUPAC5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2)C(=O)N1N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C19H14N2O4S/c22-16-13(8-10-4-2-1-3-5-10)26-19(25)21(16)20-17(23)14-11-6-7-12(9-11)15(14)18(20)24/h1-8,11-12,14-15H,9H2
InChIKeySUDVDXJUZPNXRY-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.44
Rot. Bonds2

About 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione

5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 3748290) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione
PubChem CID3748290
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2ccccc2)C(=O)N1N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C19H14N2O4S/c22-16-13(8-10-4-2-1-3-5-10)26-19(25)21(16)20-17(23)14-11-6-7-12(9-11)15(14)18(20)24/h1-8,11-12,14-15H,9H2
InChIKeySUDVDXJUZPNXRY-UHFFFAOYSA-N
XLogP2.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione 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 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione (CID 3748290) is 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2ccccc2)C(=O)N1N1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is SUDVDXJUZPNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-16-13(8-10-4-2-1-3-5-10)26-19(25)21(16)20-17(23)14-11-6-7-12(9-11)15(14)18(20)24/h1-8,11-12,14-15H,9H2.
What are the key properties of 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione?
5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 366.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3748290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).