3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione

C17H12N2O2S — CID 71554911

IUPAC3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H12N2O2S/c20-16-10-22-17(21)19(16)9-13-11-5-1-3-7-14(11)18-15-8-4-2-6-12(13)15/h1-8H,9-10H2
InChIKeyOZEFDKWLKHNKBX-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.58
Rot. Bonds2

About 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione

3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 71554911) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID71554911
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H12N2O2S/c20-16-10-22-17(21)19(16)9-13-11-5-1-3-7-14(11)18-15-8-4-2-6-12(13)15/h1-8H,9-10H2
InChIKeyOZEFDKWLKHNKBX-UHFFFAOYSA-N
XLogP3.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 71554911) is 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1c2ccccc2nc2ccccc12.
What is the InChIKey of 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is OZEFDKWLKHNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-16-10-22-17(21)19(16)9-13-11-5-1-3-7-14(11)18-15-8-4-2-6-12(13)15/h1-8H,9-10H2.
What are the key properties of 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione?
3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 308.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acridin-9-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71554911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).