(5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C24H19NO3S — CID 58765606

About (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 58765606) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 58765606
• Molecular Formula: C24H19NO3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.11
• IUPAC Name: (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: CC1(C)COc2ccc(-c3ccc4cc(/C=C5\SC(=O)NC5=O)ccc4c3)cc21
• InChI: InChI=1S/C24H19NO3S/c1-24(2)13-28-20-8-7-18(12-19(20)24)17-6-5-15-9-14(3-4-16(15)11-17)10-21-22(26)25-23(27)29-21/h3-12H,13H2,1-2H3,(H,25,26,27)/b21-10-
• InChIKey: QKDDCRMATKFXFK-FBHDLOMBSA-N
• XLogP: 5.50
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 58765606) is (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CC1(C)COc2ccc(-c3ccc4cc(/C=C5\SC(=O)NC5=O)ccc4c3)cc21.

What is the InChIKey of (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is QKDDCRMATKFXFK-FBHDLOMBSA-N. The full InChI is InChI=1S/C24H19NO3S/c1-24(2)13-28-20-8-7-18(12-19(20)24)17-6-5-15-9-14(3-4-16(15)11-17)10-21-22(26)25-23(27)29-21/h3-12H,13H2,1-2H3,(H,25,26,27)/b21-10-.

What are the key properties of (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 401.49 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58765606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).