(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one

C19H16Cl2N2O2S — CID 24957028

About (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 24957028) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 24957028
• Molecular Formula: C19H16Cl2N2O2S
• Molecular Weight: 407.32 g/mol
• Exact Mass: 406.03
• IUPAC Name: (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
• SMILES: CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
• InChI: InChI=1S/C19H16Cl2N2O2S/c1-11(2)22-19-23(14-5-3-4-13(20)10-14)18(25)17(26-19)9-12-6-7-16(24)15(21)8-12/h3-11,24H,1-2H3/b17-9-,22-19-
• InChIKey: AADCSVDRPUOIIJ-UYMBLXCVSA-N
• XLogP: 5.58
• TPSA: 52.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.32
LogP ≤ 5	5.58
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]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 24957028) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1.

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

The InChIKey is AADCSVDRPUOIIJ-UYMBLXCVSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-11(2)22-19-23(14-5-3-4-13(20)10-14)18(25)17(26-19)9-12-6-7-16(24)15(21)8-12/h3-11,24H,1-2H3/b17-9-,22-19-.

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

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 407.32 g/mol, XLogP of 5.58, 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]-3-(3-chlorophenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 24957028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).