3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione

C16H9ClN2O2S — CID 11121021

IUPAC3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1c2ccccc2nc2ccc(Cl)cc12
InChIInChI=1S/C16H9ClN2O2S/c17-9-5-6-13-11(7-9)15(19-14(20)8-22-16(19)21)10-3-1-2-4-12(10)18-13/h1-7H,8H2
InChIKeyLURKQVYROPNIOF-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.24
Rot. Bonds1

About 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione

3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 11121021) has the molecular formula C16H9ClN2O2S and a molecular weight of 328.78 g/mol. Its IUPAC name is 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione
PubChem CID11121021
Molecular FormulaC16H9ClN2O2S
Molecular Weight328.78 g/mol
Exact Mass328.01
IUPAC Name3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1c2ccccc2nc2ccc(Cl)cc12
InChIInChI=1S/C16H9ClN2O2S/c17-9-5-6-13-11(7-9)15(19-14(20)8-22-16(19)21)10-3-1-2-4-12(10)18-13/h1-7H,8H2
InChIKeyLURKQVYROPNIOF-UHFFFAOYSA-N
XLogP4.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroacridin-9-yl)-5-methyl-4H-pyrazol-3-one
CID 46206709
5-(bromomethyl)-2-(2-chloroacridin-9-yl)-4H-pyrazol-3-one
CID 46206715
10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one
CID 121001787
3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 135747657
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4135812
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 90646534
3-[(2-chloroquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 60746776
2,6-dichloro-4-oxoquinazoline-3-carboxylic acid
CID 117264136
4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one
CID 139222012
2-tert-butyl-9-chloroacridine
CID 620349
2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135877578

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione (CID 11121021) is 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1c1c2ccccc2nc2ccc(Cl)cc12.
What is the InChIKey of 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is LURKQVYROPNIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2S/c17-9-5-6-13-11(7-9)15(19-14(20)8-22-16(19)21)10-3-1-2-4-12(10)18-13/h1-7H,8H2.
What are the key properties of 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione?
3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 328.78 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11121021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).