(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde

C92H72N10O13S7 — CID 161216684

About (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde

(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde (PubChem CID 161216684) has the molecular formula C92H72N10O13S7 and a molecular weight of 1750.11 g/mol. Its IUPAC name is (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde.

Molecular Properties

• Compound Name: (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde
• PubChem CID: 161216684
• Molecular Formula: C92H72N10O13S7
• Molecular Weight: 1750.11 g/mol
• Exact Mass: 1748.33
• IUPAC Name: (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde
• SMILES: C#CCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.C#CCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCCC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)C1=O.C#CCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCN)o2)C1=O.O=Cc1ccc(SC2=Nc3ccccc3C2)o1
• InChI: InChI=1S/C37H29N3O5S2.C22H20N4O3S2.C20H14N2O3S2.C13H9NO2S/c1-2-3-22-40-35(43)32(46-37(40)44)24-28-20-21-33(45-28)47-36-38-29-13-7-8-14-30(29)39(36)23-10-9-15-31(41)25-16-18-27(19-17-25)34(42)26-11-5-4-6-12-26;1-2-3-12-26-20(27)18(30-22(26)28)14-15-9-10-19(29-15)31-21-24-16-7-4-5-8-17(16)25(21)13-6-11-23;1-2-3-10-22-19(23)16(26-20(22)24)12-14-8-9-18(25-14)27-17-11-13-6-4-5-7-15(13)21-17;15-8-10-5-6-13(16-10)17-12-7-9-3-1-2-4-11(9)14-12/h1,4-8,11-14,16-21,24H,3,9-10,15,22-23H2;1,4-5,7-10,14H,3,6,11-13,23H2;1,4-9,12H,3,10-11H2;1-6,8H,7H2/b32-24-;18-14-;16-12-
• InChIKey: UWYPTICPFSLZJL-IOCIZKNISA-N
• XLogP: 20.50
• TPSA: 302.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.11
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde?

The IUPAC name of (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde (CID 161216684) is (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde.

What is the SMILES notation for (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde?

The canonical SMILES for (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde is C#CCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.C#CCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCCC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)C1=O.C#CCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCN)o2)C1=O.O=Cc1ccc(SC2=Nc3ccccc3C2)o1.

What is the InChIKey of (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde?

The InChIKey is UWYPTICPFSLZJL-IOCIZKNISA-N. The full InChI is InChI=1S/C37H29N3O5S2.C22H20N4O3S2.C20H14N2O3S2.C13H9NO2S/c1-2-3-22-40-35(43)32(46-37(40)44)24-28-20-21-33(45-28)47-36-38-29-13-7-8-14-30(29)39(36)23-10-9-15-31(41)25-16-18-27(19-17-25)34(42)26-11-5-4-6-12-26;1-2-3-12-26-20(27)18(30-22(26)28)14-15-9-10-19(29-15)31-21-24-16-7-4-5-8-17(16)25(21)13-6-11-23;1-2-3-10-22-19(23)16(26-20(22)24)12-14-8-9-18(25-14)27-17-11-13-6-4-5-7-15(13)21-17;15-8-10-5-6-13(16-10)17-12-7-9-3-1-2-4-11(9)14-12/h1,4-8,11-14,16-21,24H,3,9-10,15,22-23H2;1,4-5,7-10,14H,3,6,11-13,23H2;1,4-9,12H,3,10-11H2;1-6,8H,7H2/b32-24-;18-14-;16-12-;.

What are the key properties of (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde?

(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde has a molecular weight of 1750.11 g/mol, XLogP of 20.50, 27 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-[5-(4-benzoylphenyl)-5-oxopentyl]benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-but-3-ynyl-1,3-thiazolidine-2,4-dione;(5Z)-3-but-3-ynyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-(3H-indol-2-ylsulfanyl)furan-2-carbaldehyde is sourced from PubChem (CID 161216684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).