(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C24H17FN2OS2 — CID 6536306

About (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6536306) has the molecular formula C24H17FN2OS2 and a molecular weight of 432.55 g/mol. Its IUPAC name is (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 6536306
• Molecular Formula: C24H17FN2OS2
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.08
• IUPAC Name: (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)ccc21
• InChI: InChI=1S/C24H17FN2OS2/c1-2-26-19-9-5-3-7-16(19)17-13-15(11-12-20(17)26)14-22-23(28)27(24(29)30-22)21-10-6-4-8-18(21)25/h3-14H,2H2,1H3/b22-14+
• InChIKey: FOPGMSRSTPACLJ-HYARGMPZSA-N
• XLogP: 6.36
• TPSA: 25.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6536306) is (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)ccc21.

What is the InChIKey of (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is FOPGMSRSTPACLJ-HYARGMPZSA-N. The full InChI is InChI=1S/C24H17FN2OS2/c1-2-26-19-9-5-3-7-16(19)17-13-15(11-12-20(17)26)14-22-23(28)27(24(29)30-22)21-10-6-4-8-18(21)25/h3-14H,2H2,1H3/b22-14+.

What are the key properties of (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 432.55 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6536306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).