(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one

C18H14Cl2N2O2S — CID 137155626

About (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137155626) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
• PubChem CID: 137155626
• Molecular Formula: C18H14Cl2N2O2S
• Molecular Weight: 393.30 g/mol
• Exact Mass: 392.02
• IUPAC Name: (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
• SMILES: CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2cccc(Cl)c2)NC1=O
• InChI: InChI=1S/C18H14Cl2N2O2S/c1-2-24-15-7-6-13(20)8-11(15)9-16-17(23)22-18(25-16)21-14-5-3-4-12(19)10-14/h3-10H,2H2,1H3,(H,21,22,23)/b16-9-
• InChIKey: GHUFRJICWKCRBV-SXGWCWSVSA-N
• XLogP: 5.28
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.30
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 137155626) is (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one is CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2cccc(Cl)c2)NC1=O.

What is the InChIKey of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

The InChIKey is GHUFRJICWKCRBV-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-2-24-15-7-6-13(20)8-11(15)9-16-17(23)22-18(25-16)21-14-5-3-4-12(19)10-14/h3-10H,2H2,1H3,(H,21,22,23)/b16-9-.

What are the key properties of (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 393.30 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137155626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).