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

C25H18N2O2S — CID 23651540

IUPAC(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)S/C(=C\c3c4ccccc4nc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H18N2O2S/c1-16-10-12-17(13-11-16)15-27-24(28)23(30-25(27)29)14-20-18-6-2-4-8-21(18)26-22-9-5-3-7-19(20)22/h2-14H,15H2,1H3/b23-14-
InChIKeyXEBUFDRTTQXKLP-UCQKPKSFSA-N
MW410.50 g/mol
LogP5.93
Rot. Bonds3

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

(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 23651540) has the molecular formula C25H18N2O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID23651540
Molecular FormulaC25H18N2O2S
Molecular Weight410.50 g/mol
Exact Mass410.11
IUPAC Name(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)S/C(=C\c3c4ccccc4nc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H18N2O2S/c1-16-10-12-17(13-11-16)15-27-24(28)23(30-25(27)29)14-20-18-6-2-4-8-21(18)26-22-9-5-3-7-19(20)22/h2-14H,15H2,1H3/b23-14-
InChIKeyXEBUFDRTTQXKLP-UCQKPKSFSA-N
XLogP5.93
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.93
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 23651540) is (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(CN2C(=O)S/C(=C\c3c4ccccc4nc4ccccc34)C2=O)cc1.
What is the InChIKey of (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is XEBUFDRTTQXKLP-UCQKPKSFSA-N. The full InChI is InChI=1S/C25H18N2O2S/c1-16-10-12-17(13-11-16)15-27-24(28)23(30-25(27)29)14-20-18-6-2-4-8-21(18)26-22-9-5-3-7-19(20)22/h2-14H,15H2,1H3/b23-14-.
What are the key properties of (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 410.50 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(acridin-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23651540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).