(2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

C23H25N3O2S — CID 18843061

About (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

(2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (PubChem CID 18843061) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
• PubChem CID: 18843061
• Molecular Formula: C23H25N3O2S
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.17
• IUPAC Name: (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
• SMILES: COc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(C2CCCCC2)C1=O
• InChI: InChI=1S/C23H25N3O2S/c1-16-9-8-14-21(24-16)25-23-26(18-11-4-3-5-12-18)22(27)20(29-23)15-17-10-6-7-13-19(17)28-2/h6-10,13-15,18H,3-5,11-12H2,1-2H3/b20-15-,25-23+
• InChIKey: NOOIHERJPJQOLC-UTYGHKOPSA-N
• XLogP: 5.34
• TPSA: 54.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.54
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (CID 18843061) is (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(C2CCCCC2)C1=O.

What is the InChIKey of (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?

The InChIKey is NOOIHERJPJQOLC-UTYGHKOPSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-9-8-14-21(24-16)25-23-26(18-11-4-3-5-12-18)22(27)20(29-23)15-17-10-6-7-13-19(17)28-2/h6-10,13-15,18H,3-5,11-12H2,1-2H3/b20-15-,25-23+.

What are the key properties of (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?

(2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one has a molecular weight of 407.54 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).