2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide

C20H14Cl2N4O2S2 — CID 2120748

About 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide

2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 2120748) has the molecular formula C20H14Cl2N4O2S2 and a molecular weight of 477.40 g/mol. Its IUPAC name is 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide
• PubChem CID: 2120748
• Molecular Formula: C20H14Cl2N4O2S2
• Molecular Weight: 477.40 g/mol
• Exact Mass: 475.99
• IUPAC Name: 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide
• SMILES: O=C(CN1C(=O)CS/C1=C\c1nc(-c2ccc(Cl)cc2)cs1)Nc1cccnc1Cl
• InChI: InChI=1S/C20H14Cl2N4O2S2/c21-13-5-3-12(4-6-13)15-10-29-17(25-15)8-19-26(18(28)11-30-19)9-16(27)24-14-2-1-7-23-20(14)22/h1-8,10H,9,11H2,(H,24,27)/b19-8-
• InChIKey: AGXUUOJHZDZBFN-UWVJOHFNSA-N
• XLogP: 5.02
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.40
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?

The IUPAC name of 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide (CID 2120748) is 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide.

What is the SMILES notation for 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?

The canonical SMILES for 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide is O=C(CN1C(=O)CS/C1=C\c1nc(-c2ccc(Cl)cc2)cs1)Nc1cccnc1Cl.

What is the InChIKey of 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?

The InChIKey is AGXUUOJHZDZBFN-UWVJOHFNSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2S2/c21-13-5-3-12(4-6-13)15-10-29-17(25-15)8-19-26(18(28)11-30-19)9-16(27)24-14-2-1-7-23-20(14)22/h1-8,10H,9,11H2,(H,24,27)/b19-8-.

What are the key properties of 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide?

2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 477.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 2120748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).