(5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C24H23N5O5S — CID 162643402

About (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 162643402) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
• PubChem CID: 162643402
• Molecular Formula: C24H23N5O5S
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.14
• IUPAC Name: (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
• SMILES: Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CCO)C2=O)cc1
• InChI: InChI=1S/C24H23N5O5S/c1-17-25-16-22(29(32)33)27(17)12-14-34-20-9-7-18(8-10-20)15-21-23(31)28(11-13-30)24(35-21)26-19-5-3-2-4-6-19/h2-10,15-16,30H,11-14H2,1H3/b21-15-,26-24+
• InChIKey: PODSXHZXRCXWGF-SYUAUQEVSA-N
• XLogP: 3.78
• TPSA: 123.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 162643402) is (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CCO)C2=O)cc1.

What is the InChIKey of (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?

The InChIKey is PODSXHZXRCXWGF-SYUAUQEVSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-17-25-16-22(29(32)33)27(17)12-14-34-20-9-7-18(8-10-20)15-21-23(31)28(11-13-30)24(35-21)26-19-5-3-2-4-6-19/h2-10,15-16,30H,11-14H2,1H3/b21-15-,26-24+.

What are the key properties of (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?

(5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 493.55 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(2-hydroxyethyl)-5-[[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 162643402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).