(5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H13NO2S3 — CID 58644580

About (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58644580) has the molecular formula C19H13NO2S3 and a molecular weight of 383.52 g/mol. Its IUPAC name is (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 58644580
• Molecular Formula: C19H13NO2S3
• Molecular Weight: 383.52 g/mol
• Exact Mass: 383.01
• IUPAC Name: (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: COc1ccc2cc(-c3csc(/C=C4\SC(=S)NC4=O)c3)ccc2c1
• InChI: InChI=1S/C19H13NO2S3/c1-22-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(24-10-14)9-17-18(21)20-19(23)25-17/h2-10H,1H3,(H,20,21,23)/b17-9-
• InChIKey: XORZRPRNJBDRHT-MFOYZWKCSA-N
• XLogP: 5.07
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.52
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58644580) is (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc2cc(-c3csc(/C=C4\SC(=S)NC4=O)c3)ccc2c1.

What is the InChIKey of (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is XORZRPRNJBDRHT-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H13NO2S3/c1-22-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(24-10-14)9-17-18(21)20-19(23)25-17/h2-10H,1H3,(H,20,21,23)/b17-9-.

What are the key properties of (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 383.52 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-(6-methoxynaphthalen-2-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58644580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).