(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C20H15N5O2S — CID 18973426

About (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18973426) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 18973426
• Molecular Formula: C20H15N5O2S
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.09
• IUPAC Name: (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: [N-]=[N+]=NC(Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21)c1ccccc1
• InChI: InChI=1S/C20H15N5O2S/c21-24-23-16(13-5-2-1-3-6-13)12-25-10-9-15-14(7-4-8-17(15)25)11-18-19(26)22-20(27)28-18/h1-11,16H,12H2,(H,22,26,27)/b18-11-
• InChIKey: LCUINQYZZAXALA-WQRHYEAKSA-N
• XLogP: 5.02
• TPSA: 99.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18973426) is (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is [N-]=[N+]=NC(Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21)c1ccccc1.

What is the InChIKey of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is LCUINQYZZAXALA-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H15N5O2S/c21-24-23-16(13-5-2-1-3-6-13)12-25-10-9-15-14(7-4-8-17(15)25)11-18-19(26)22-20(27)28-18/h1-11,16H,12H2,(H,22,26,27)/b18-11-.

What are the key properties of (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 389.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[1-(2-azido-2-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18973426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).