5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C24H15FN2O2S — CID 70688085

IUPAC5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H15FN2O2S/c25-16-11-9-15(10-12-16)14-27-23(28)22(30-24(27)29)13-19-17-5-1-3-7-20(17)26-21-8-4-2-6-18(19)21/h1-13H,14H2
InChIKeyYNCXNVOUFHKLHL-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.76
Rot. Bonds3

About 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 70688085) has the molecular formula C24H15FN2O2S and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID70688085
Molecular FormulaC24H15FN2O2S
Molecular Weight414.46 g/mol
Exact Mass414.08
IUPAC Name5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H15FN2O2S/c25-16-11-9-15(10-12-16)14-27-23(28)22(30-24(27)29)13-19-17-5-1-3-7-20(17)26-21-8-4-2-6-18(19)21/h1-13H,14H2
InChIKeyYNCXNVOUFHKLHL-UHFFFAOYSA-N
XLogP5.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-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

Related Compounds

Gsk-1059615
CID 23582824
(2-Phenyl-quinolin-4-yl)-pyrrolidin-1-yl-methanone
CID 757669
PI3K inhibitor GS1059615
CID 71317162
N-(9-Acridinyl)maleimide
CID 3016496
2,3-Dihydroindol-1-yl-(6-fluoro-2-methyl-4-quinolinyl)methanone
CID 664825
(E)-N-[4-(acridin-9-ylamino)butyl]-3-(3-fluorophenyl)prop-2-enamide
CID 71520216
(E)-N-[4-(acridin-9-ylamino)butyl]-3-(4-fluorophenyl)prop-2-enamide
CID 71520217
1-[(E)-3-quinolin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 145976866
(5z)-[5-Acridin-9-ylmethylene-3-(4-methyl-benzyl)-thiazolidine-2,4-dione]
CID 23651540
(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 60199218
5-(Acridin-9-ylmethylidene)-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 70690118
(5E)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658330

Frequently Asked Questions

What is the IUPAC name of 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 70688085) is 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is YNCXNVOUFHKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O2S/c25-16-11-9-15(10-12-16)14-27-23(28)22(30-24(27)29)13-19-17-5-1-3-7-20(17)26-21-8-4-2-6-18(19)21/h1-13H,14H2.
What are the key properties of 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 414.46 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acridin-9-ylmethylidene)-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 70688085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).