(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione

C24H16N2O2S — CID 87709377

IUPAC(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H16N2O2S/c27-23-22(29-24(28)26(23)15-16-8-2-1-3-9-16)14-19-17-10-4-6-12-20(17)25-21-13-7-5-11-18(19)21/h1-14H,15H2/b22-14-
InChIKeyZTVZKLWSVDAIBB-HMAPJEAMSA-N
MW396.47 g/mol
LogP5.62
Rot. Bonds3

About (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione

(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione (PubChem CID 87709377) has the molecular formula C24H16N2O2S and a molecular weight of 396.47 g/mol. Its IUPAC name is (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione
PubChem CID87709377
Molecular FormulaC24H16N2O2S
Molecular Weight396.47 g/mol
Exact Mass396.09
IUPAC Name(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H16N2O2S/c27-23-22(29-24(28)26(23)15-16-8-2-1-3-9-16)14-19-17-10-4-6-12-20(17)25-21-13-7-5-11-18(19)21/h1-14H,15H2/b22-14-
InChIKeyZTVZKLWSVDAIBB-HMAPJEAMSA-N
XLogP5.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.62
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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Related Compounds

5-(acridin-9-ylmethylidene)-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 74079361
5-(acridin-9-ylmethylidene)-3-[(4-bromophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 85089760
5-(acridin-9-ylmethylidene)-3-[(4-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 74079365
(5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23651673
(5E)-5-(acridin-9-ylmethylidene)-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 10006174
3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1351149
(5Z)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1269046
(5E)-3-benzyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663016
(5Z)-5-benzylidene-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2173083
5-benzylidene-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2901200
3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2874189
(5Z)-5-(acridin-9-ylmethylidene)-1-benzyl-4-sulfanylideneimidazolidin-2-one
CID 23651803

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione (CID 87709377) is (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione?
The InChIKey is ZTVZKLWSVDAIBB-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H16N2O2S/c27-23-22(29-24(28)26(23)15-16-8-2-1-3-9-16)14-19-17-10-4-6-12-20(17)25-21-13-7-5-11-18(19)21/h1-14H,15H2/b22-14-.
What are the key properties of (5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-(acridin-9-ylmethylidene)-3-benzyl-1,3-thiazolidine-2,4-dione has a molecular weight of 396.47 g/mol, XLogP of 5.62, 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-benzyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87709377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).