(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

C24H18ClNO2S2 — CID 126345887

About (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126345887) has the molecular formula C24H18ClNO2S2 and a molecular weight of 452.00 g/mol. Its IUPAC name is (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 126345887
• Molecular Formula: C24H18ClNO2S2
• Molecular Weight: 452.00 g/mol
• Exact Mass: 451.05
• IUPAC Name: (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S
• InChI: InChI=1S/C24H18ClNO2S2/c1-2-13-26-23(27)22(30-24(26)29)14-20-19-6-4-3-5-17(19)9-12-21(20)28-15-16-7-10-18(25)11-8-16/h2-12,14H,1,13,15H2/b22-14-
• InChIKey: XUGLPXDYKDCANW-HMAPJEAMSA-N
• XLogP: 6.46
• TPSA: 29.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.00
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126345887) is (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S.

What is the InChIKey of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is XUGLPXDYKDCANW-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H18ClNO2S2/c1-2-13-26-23(27)22(30-24(26)29)14-20-19-6-4-3-5-17(19)9-12-21(20)28-15-16-7-10-18(25)11-8-16/h2-12,14H,1,13,15H2/b22-14-.

What are the key properties of (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 452.00 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126345887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).