(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide

C19H20ClN3O3S — CID 2374787

About (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide

(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide (PubChem CID 2374787) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide
• PubChem CID: 2374787
• Molecular Formula: C19H20ClN3O3S
• Molecular Weight: 405.91 g/mol
• Exact Mass: 405.09
• IUPAC Name: (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide
• SMILES: CCn1c(=O)/c(=C\c2ccc(Cl)cc2)s/c1=C(/C#N)C(=O)NCCCOC
• InChI: InChI=1S/C19H20ClN3O3S/c1-3-23-18(25)16(11-13-5-7-14(20)8-6-13)27-19(23)15(12-21)17(24)22-9-4-10-26-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,24)/b16-11+,19-15-
• InChIKey: ZAUHLAHHMVLADO-SRDSUALGSA-N
• XLogP: 1.24
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.91
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide?

The IUPAC name of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide (CID 2374787) is (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide.

What is the SMILES notation for (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide?

The canonical SMILES for (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide is CCn1c(=O)/c(=C\c2ccc(Cl)cc2)s/c1=C(/C#N)C(=O)NCCCOC.

What is the InChIKey of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide?

The InChIKey is ZAUHLAHHMVLADO-SRDSUALGSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-3-23-18(25)16(11-13-5-7-14(20)8-6-13)27-19(23)15(12-21)17(24)22-9-4-10-26-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,24)/b16-11+,19-15-.

What are the key properties of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide?

(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide has a molecular weight of 405.91 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2374787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).