(5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one

C25H23ClN2O3S — CID 126090282

About (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one (PubChem CID 126090282) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one
• PubChem CID: 126090282
• Molecular Formula: C25H23ClN2O3S
• Molecular Weight: 466.99 g/mol
• Exact Mass: 466.11
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one
• SMILES: CCCN1C(=O)/C(=C/c2ccc(OC)c3cccc(OC)c23)S/C1=N/c1ccc(Cl)cc1
• InChI: InChI=1S/C25H23ClN2O3S/c1-4-14-28-24(29)22(32-25(28)27-18-11-9-17(26)10-12-18)15-16-8-13-20(30-2)19-6-5-7-21(31-3)23(16)19/h5-13,15H,4,14H2,1-3H3/b22-15-,27-25+
• InChIKey: WQLDIPLQFNXGSR-YEVPVSBLSA-N
• XLogP: 6.52
• TPSA: 51.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.99
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one (CID 126090282) is (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)/C(=C/c2ccc(OC)c3cccc(OC)c23)S/C1=N/c1ccc(Cl)cc1.

What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one?

The InChIKey is WQLDIPLQFNXGSR-YEVPVSBLSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-4-14-28-24(29)22(32-25(28)27-18-11-9-17(26)10-12-18)15-16-8-13-20(30-2)19-6-5-7-21(31-3)23(16)19/h5-13,15H,4,14H2,1-3H3/b22-15-,27-25+.

What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one?

(5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 466.99 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-5-[(4,8-dimethoxynaphthalen-1-yl)methylidene]-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 126090282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).