(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one

C21H19ClN2O2S — CID 46236272

About (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 46236272) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 46236272
• Molecular Formula: C21H19ClN2O2S
• Molecular Weight: 398.92 g/mol
• Exact Mass: 398.09
• IUPAC Name: (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCC2)N1c1ccccc1
• InChI: InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-
• InChIKey: DGEVWFHFQKJUAY-QFGKFHJGSA-N
• XLogP: 5.47
• TPSA: 52.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.92
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one (CID 46236272) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCC2)N1c1ccccc1.

What is the InChIKey of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one?

The InChIKey is DGEVWFHFQKJUAY-QFGKFHJGSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-.

What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one?

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 398.92 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopentylimino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).