(5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C22H23NO2S2 — CID 143801736

About (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 143801736) has the molecular formula C22H23NO2S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 143801736
• Molecular Formula: C22H23NO2S2
• Molecular Weight: 397.57 g/mol
• Exact Mass: 397.12
• IUPAC Name: (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: CCC1CC(C)C(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)C1
• InChI: InChI=1S/C22H23NO2S2/c1-3-15-11-14(2)18(12-15)23-21(24)20(27-22(23)26)13-17-9-10-19(25-17)16-7-5-4-6-8-16/h4-10,13-15,18H,3,11-12H2,1-2H3/b20-13-
• InChIKey: OKPBLZMFBRGKLP-MOSHPQCFSA-N
• XLogP: 5.97
• TPSA: 33.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.57
LogP ≤ 5	5.97
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)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 143801736) is (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CCC1CC(C)C(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)C1.

What is the InChIKey of (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is OKPBLZMFBRGKLP-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H23NO2S2/c1-3-15-11-14(2)18(12-15)23-21(24)20(27-22(23)26)13-17-9-10-19(25-17)16-7-5-4-6-8-16/h4-10,13-15,18H,3,11-12H2,1-2H3/b20-13-.

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

(5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 397.57 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(4-ethyl-2-methylcyclopentyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 143801736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).