2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C30H22ClFN4O4S — CID 19246185

About 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 19246185) has the molecular formula C30H22ClFN4O4S and a molecular weight of 589.05 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• PubChem CID: 19246185
• Molecular Formula: C30H22ClFN4O4S
• Molecular Weight: 589.05 g/mol
• Exact Mass: 588.10
• IUPAC Name: 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• SMILES: O=C(COc1ccccc1/C=C1\S/C(=N/N=C\c2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C30H22ClFN4O4S/c31-22-9-7-20(8-10-22)17-33-35-30-36(18-25-5-3-15-39-25)29(38)27(41-30)16-21-4-1-2-6-26(21)40-19-28(37)34-24-13-11-23(32)12-14-24/h1-17H,18-19H2,(H,34,37)/b27-16-,33-17-,35-30+
• InChIKey: ZBERANCNXZOQBX-XCLVTRNCSA-N
• XLogP: 6.60
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.05
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 19246185) is 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccccc1/C=C1\S/C(=N/N=C\c2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccc(F)cc1.

What is the InChIKey of 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The InChIKey is ZBERANCNXZOQBX-XCLVTRNCSA-N. The full InChI is InChI=1S/C30H22ClFN4O4S/c31-22-9-7-20(8-10-22)17-33-35-30-36(18-25-5-3-15-39-25)29(38)27(41-30)16-21-4-1-2-6-26(21)40-19-28(37)34-24-13-11-23(32)12-14-24/h1-17H,18-19H2,(H,34,37)/b27-16-,33-17-,35-30+.

What are the key properties of 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 589.05 g/mol, XLogP of 6.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 19246185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).