2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol

C28H20FN5OS — CID 135789765

About 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol

2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol (PubChem CID 135789765) has the molecular formula C28H20FN5OS and a molecular weight of 493.57 g/mol. Its IUPAC name is 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol.

Molecular Properties

• Compound Name: 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol
• PubChem CID: 135789765
• Molecular Formula: C28H20FN5OS
• Molecular Weight: 493.57 g/mol
• Exact Mass: 493.14
• IUPAC Name: 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol
• SMILES: Oc1ccccc1/C=N\N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccc(F)cc1
• InChI: InChI=1S/C28H20FN5OS/c29-21-15-17-24(18-16-21)34-26(31-22-10-3-1-4-11-22)27(32-23-12-5-2-6-13-23)36-28(34)33-30-19-20-9-7-8-14-25(20)35/h1-19,35H/b30-19-,31-26+,32-27-,33-28+
• InChIKey: HLJPAHWUDPWHOE-OYWOCPLNSA-N
• XLogP: 6.93
• TPSA: 72.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.57
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol?

The IUPAC name of 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol (CID 135789765) is 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol.

What is the SMILES notation for 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol?

The canonical SMILES for 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N\N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccc(F)cc1.

What is the InChIKey of 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol?

The InChIKey is HLJPAHWUDPWHOE-OYWOCPLNSA-N. The full InChI is InChI=1S/C28H20FN5OS/c29-21-15-17-24(18-16-21)34-26(31-22-10-3-1-4-11-22)27(32-23-12-5-2-6-13-23)36-28(34)33-30-19-20-9-7-8-14-25(20)35/h1-19,35H/b30-19-,31-26+,32-27-,33-28+.

What are the key properties of 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol?

2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol has a molecular weight of 493.57 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[(E)-[3-(4-fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135789765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).