(5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C24H16N2O4S — CID 118090697

About (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090697) has the molecular formula C24H16N2O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 118090697
• Molecular Formula: C24H16N2O4S
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.08
• IUPAC Name: (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1NC(=O)/C(=C\c2cc3cncc(-c4ccc(OCc5ccccc5)cc4)c3o2)S1
• InChI: InChI=1S/C24H16N2O4S/c27-23-21(31-24(28)26-23)11-19-10-17-12-25-13-20(22(17)30-19)16-6-8-18(9-7-16)29-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27,28)/b21-11+
• InChIKey: BLCLITBCAZZNDQ-SRZZPIQSSA-N
• XLogP: 5.40
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090697) is (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc3cncc(-c4ccc(OCc5ccccc5)cc4)c3o2)S1.

What is the InChIKey of (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is BLCLITBCAZZNDQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C24H16N2O4S/c27-23-21(31-24(28)26-23)11-19-10-17-12-25-13-20(22(17)30-19)16-6-8-18(9-7-16)29-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,26,27,28)/b21-11+.

What are the key properties of (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?

(5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 428.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[7-(4-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).