(5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one

C24H15ClN2OS2 — CID 23651673

About (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one

(5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 23651673) has the molecular formula C24H15ClN2OS2 and a molecular weight of 446.98 g/mol. Its IUPAC name is (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

• Compound Name: (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one
• PubChem CID: 23651673
• Molecular Formula: C24H15ClN2OS2
• Molecular Weight: 446.98 g/mol
• Exact Mass: 446.03
• IUPAC Name: (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one
• SMILES: O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=S)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C24H15ClN2OS2/c25-16-7-5-6-15(12-16)14-27-23(29)22(30-24(27)28)13-19-17-8-1-3-10-20(17)26-21-11-4-2-9-18(19)21/h1-13H,14H2/b22-13-
• InChIKey: GHHDCKHMFLOJQN-XKZIYDEJSA-N
• XLogP: 7.08
• TPSA: 33.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.98
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?

The IUPAC name of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 23651673) is (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one.

What is the SMILES notation for (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?

The canonical SMILES for (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=S)N1Cc1cccc(Cl)c1.

What is the InChIKey of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?

The InChIKey is GHHDCKHMFLOJQN-XKZIYDEJSA-N. The full InChI is InChI=1S/C24H15ClN2OS2/c25-16-7-5-6-15(12-16)14-27-23(29)22(30-24(27)28)13-19-17-8-1-3-10-20(17)26-21-11-4-2-9-18(19)21/h1-13H,14H2/b22-13-.

What are the key properties of (5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one?

(5Z)-5-(acridin-9-ylmethylidene)-3-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 446.98 g/mol, XLogP of 7.08, 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-[(3-chlorophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 23651673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).