(2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C22H17ClFN3O2S — CID 98147162

About (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 98147162) has the molecular formula C22H17ClFN3O2S and a molecular weight of 441.92 g/mol. Its IUPAC name is (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 98147162
• Molecular Formula: C22H17ClFN3O2S
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.07
• IUPAC Name: (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1
• InChI: InChI=1S/C22H17ClFN3O2S/c23-17-7-3-16(4-8-17)13-25-26-22-27(14-19-2-1-11-29-19)21(28)20(30-22)12-15-5-9-18(24)10-6-15/h1-11,13,20H,12,14H2/b25-13-,26-22-/t20-/m1/s1
• InChIKey: DCUGRKVJPDVMFU-NVSRCQEDSA-N
• XLogP: 5.15
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 98147162) is (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1.

What is the InChIKey of (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The InChIKey is DCUGRKVJPDVMFU-NVSRCQEDSA-N. The full InChI is InChI=1S/C22H17ClFN3O2S/c23-17-7-3-16(4-8-17)13-25-26-22-27(14-19-2-1-11-29-19)21(28)20(30-22)12-15-5-9-18(24)10-6-15/h1-11,13,20H,12,14H2/b25-13-,26-22-/t20-/m1/s1.

What are the key properties of (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

(2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 441.92 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 98147162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).