N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C23H19N5O6S — CID 135575280

About N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135575280) has the molecular formula C23H19N5O6S and a molecular weight of 493.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 135575280
• Molecular Formula: C23H19N5O6S
• Molecular Weight: 493.50 g/mol
• Exact Mass: 493.11
• IUPAC Name: N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC2=O)cc1
• InChI: InChI=1S/C23H19N5O6S/c1-33-15-8-6-14(7-9-15)25-21(29)12-20-22(30)26-23(35-20)27-24-13-16-10-11-19(34-16)17-4-2-3-5-18(17)28(31)32/h2-11,13,20H,12H2,1H3,(H,25,29)(H,26,27,30)/b24-13+
• InChIKey: JYYBRRXDLBFMKZ-ZMOGYAJESA-N
• XLogP: 3.81
• TPSA: 148.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.50
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_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 N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135575280) is N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC2=O)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is JYYBRRXDLBFMKZ-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H19N5O6S/c1-33-15-8-6-14(7-9-15)25-21(29)12-20-22(30)26-23(35-20)27-24-13-16-10-11-19(34-16)17-4-2-3-5-18(17)28(31)32/h2-11,13,20H,12H2,1H3,(H,25,29)(H,26,27,30)/b24-13+.

What are the key properties of N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 493.50 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135575280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).