(5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H8F2N2O2S2 — CID 118089788

About (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118089788) has the molecular formula C19H8F2N2O2S2 and a molecular weight of 398.42 g/mol. Its IUPAC name is (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 118089788
• Molecular Formula: C19H8F2N2O2S2
• Molecular Weight: 398.42 g/mol
• Exact Mass: 398.00
• IUPAC Name: (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1NC(=S)S/C1=C\c1cc2cncc(C#Cc3ccc(F)c(F)c3)c2o1
• InChI: InChI=1S/C19H8F2N2O2S2/c20-14-4-2-10(5-15(14)21)1-3-11-8-22-9-12-6-13(25-17(11)12)7-16-18(24)23-19(26)27-16/h2,4-9H,(H,23,24,26)/b16-7-
• InChIKey: CRYMQXBPMCYYTC-APSNUPSMSA-N
• XLogP: 3.99
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.42
LogP ≤ 5	3.99
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118089788) is (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cc2cncc(C#Cc3ccc(F)c(F)c3)c2o1.

What is the InChIKey of (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is CRYMQXBPMCYYTC-APSNUPSMSA-N. The full InChI is InChI=1S/C19H8F2N2O2S2/c20-14-4-2-10(5-15(14)21)1-3-11-8-22-9-12-6-13(25-17(11)12)7-16-18(24)23-19(26)27-16/h2,4-9H,(H,23,24,26)/b16-7-.

What are the key properties of (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 398.42 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[7-[2-(3,4-difluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).