(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

C22H24BrN3O2S — CID 39103625

About (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 39103625) has the molecular formula C22H24BrN3O2S and a molecular weight of 474.42 g/mol. Its IUPAC name is (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
• PubChem CID: 39103625
• Molecular Formula: C22H24BrN3O2S
• Molecular Weight: 474.42 g/mol
• Exact Mass: 473.08
• IUPAC Name: (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
• SMILES: CCC[C@H]1S/C(=N\N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O
• InChI: InChI=1S/C22H24BrN3O2S/c1-4-7-20-21(27)26(14-16-9-6-5-8-15(16)2)22(29-20)25-24-13-17-12-18(23)10-11-19(17)28-3/h5-6,8-13,20H,4,7,14H2,1-3H3/b24-13-,25-22-/t20-/m1/s1
• InChIKey: WZMLRHOGDCCBTN-YAYIDYFESA-N
• XLogP: 5.40
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.42
LogP ≤ 5	5.40
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)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (CID 39103625) is (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is CCC[C@H]1S/C(=N\N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O.

What is the InChIKey of (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?

The InChIKey is WZMLRHOGDCCBTN-YAYIDYFESA-N. The full InChI is InChI=1S/C22H24BrN3O2S/c1-4-7-20-21(27)26(14-16-9-6-5-8-15(16)2)22(29-20)25-24-13-17-12-18(23)10-11-19(17)28-3/h5-6,8-13,20H,4,7,14H2,1-3H3/b24-13-,25-22-/t20-/m1/s1.

What are the key properties of (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?

(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 474.42 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 39103625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).