(5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one

C27H17Cl2NO2S2 — CID 126347943

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

(5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126347943) has the molecular formula C27H17Cl2NO2S2 and a molecular weight of 522.48 g/mol. Its IUPAC name is (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 126347943
• Molecular Formula: C27H17Cl2NO2S2
• Molecular Weight: 522.48 g/mol
• Exact Mass: 521.01
• IUPAC Name: (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc2ccccc12
• InChI: InChI=1S/C27H17Cl2NO2S2/c28-20-13-12-19(22(29)15-20)16-32-24-11-4-2-7-18(24)14-25-26(31)30(27(33)34-25)23-10-5-8-17-6-1-3-9-21(17)23/h1-15H,16H2/b25-14-
• InChIKey: CFKZHVZFZUPYRA-QFEZKATASA-N
• XLogP: 8.13
• TPSA: 29.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.48
LogP ≤ 5	8.13
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': '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-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126347943) is (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1cccc2ccccc12.

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

The InChIKey is CFKZHVZFZUPYRA-QFEZKATASA-N. The full InChI is InChI=1S/C27H17Cl2NO2S2/c28-20-13-12-19(22(29)15-20)16-32-24-11-4-2-7-18(24)14-25-26(31)30(27(33)34-25)23-10-5-8-17-6-1-3-9-21(17)23/h1-15H,16H2/b25-14-.

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

(5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 522.48 g/mol, XLogP of 8.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126347943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).