(5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C23H16N2OS2 — CID 6065748

About (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6065748) has the molecular formula C23H16N2OS2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 6065748
• Molecular Formula: C23H16N2OS2
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.07
• IUPAC Name: (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: Cn1c2ccccc2c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21
• InChI: InChI=1S/C23H16N2OS2/c1-24-19-10-6-5-9-17(19)18-12-11-15(13-20(18)24)14-21-22(26)25(23(27)28-21)16-7-3-2-4-8-16/h2-14H,1H3/b21-14-
• InChIKey: WJJKXXPHOFNOOL-STZFKDTASA-N
• XLogP: 5.74
• TPSA: 25.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	5.74
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 (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6065748) is (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is Cn1c2ccccc2c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21.

What is the InChIKey of (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is WJJKXXPHOFNOOL-STZFKDTASA-N. The full InChI is InChI=1S/C23H16N2OS2/c1-24-19-10-6-5-9-17(19)18-12-11-15(13-20(18)24)14-21-22(26)25(23(27)28-21)16-7-3-2-4-8-16/h2-14H,1H3/b21-14-.

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

(5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 400.53 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(9-methylcarbazol-2-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6065748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).