(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

C24H18BrN3O2S — CID 16628453

About (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 16628453) has the molecular formula C24H18BrN3O2S and a molecular weight of 492.40 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628453
• Molecular Formula: C24H18BrN3O2S
• Molecular Weight: 492.40 g/mol
• Exact Mass: 491.03
• IUPAC Name: (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\N=C\C=C\c2ccccc2)N1Cc1ccco1
• InChI: InChI=1S/C24H18BrN3O2S/c25-20-12-10-19(11-13-20)16-22-23(29)28(17-21-9-5-15-30-21)24(31-22)27-26-14-4-8-18-6-2-1-3-7-18/h1-16H,17H2/b8-4+,22-16-,26-14+,27-24-
• InChIKey: VWRTVYBDBHWOKB-ODSBBRAQSA-N
• XLogP: 6.21
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.40
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'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 (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (CID 16628453) is (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\N=C\C=C\c2ccccc2)N1Cc1ccco1.

What is the InChIKey of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is VWRTVYBDBHWOKB-ODSBBRAQSA-N. The full InChI is InChI=1S/C24H18BrN3O2S/c25-20-12-10-19(11-13-20)16-22-23(29)28(17-21-9-5-15-30-21)24(31-22)27-26-14-4-8-18-6-2-1-3-7-18/h1-16H,17H2/b8-4+,22-16-,26-14+,27-24-.

What are the key properties of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?

(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 492.40 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).