1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride

C104H90ClN11O12S8 — CID 160976503

About 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride

1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 160976503) has the molecular formula C104H90ClN11O12S8 and a molecular weight of 1977.92 g/mol. Its IUPAC name is 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride
• PubChem CID: 160976503
• Molecular Formula: C104H90ClN11O12S8
• Molecular Weight: 1977.92 g/mol
• Exact Mass: 1975.42
• IUPAC Name: 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride
• SMILES: C=C1CSC(=O)N1Cc1ccc(SC2=Nc3ccccc3C2)o1.CC(C)N1C(=O)S/C(=C\c2cc3ccc(SC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)cc2)C1=O.Cl.NCCCn1c(Sc2ccc(C(=O)Cc3ccccc3)o2)nc2ccccc21
• InChI: InChI=1S/C23H18N2O3S2.C22H21N3O2S.C21H18N2O3S.C21H18N2O2S2.C17H14N2O2S2.ClH/c1-13(2)25-22(26)20(30-23(25)27)11-16-9-15-7-8-17(12-19(15)28-16)29-21-10-14-5-3-4-6-18(14)24-21;23-13-6-14-25-18-10-5-4-9-17(18)24-22(25)28-21-12-11-20(27-21)19(26)15-16-7-2-1-3-8-16;2*1-13(2)23-20(24)18(27-21(23)25)11-14-7-9-16(10-8-14)26-19-12-15-5-3-4-6-17(15)22-19;1-11-10-22-17(20)19(11)9-13-6-7-16(21-13)23-15-8-12-4-2-3-5-14(12)18-15;/h3-9,11-13H,10H2,1-2H3;1-5,7-12H,6,13-15,23H2;2*3-11,13H,12H2,1-2H3;2-7H,1,8-10H2;1H/b20-11-;;2*18-11-
• InChIKey: CJEJTWYJMGNVSU-CLPZEKKBSA-N
• XLogP: 26.38
• TPSA: 291.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.92
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

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 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

The IUPAC name of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride (CID 160976503) is 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

The canonical SMILES for 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride is C=C1CSC(=O)N1Cc1ccc(SC2=Nc3ccccc3C2)o1.CC(C)N1C(=O)S/C(=C\c2cc3ccc(SC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)cc2)C1=O.Cl.NCCCn1c(Sc2ccc(C(=O)Cc3ccccc3)o2)nc2ccccc21.

What is the InChIKey of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

The InChIKey is CJEJTWYJMGNVSU-CLPZEKKBSA-N. The full InChI is InChI=1S/C23H18N2O3S2.C22H21N3O2S.C21H18N2O3S.C21H18N2O2S2.C17H14N2O2S2.ClH/c1-13(2)25-22(26)20(30-23(25)27)11-16-9-15-7-8-17(12-19(15)28-16)29-21-10-14-5-3-4-6-18(14)24-21;23-13-6-14-25-18-10-5-4-9-17(18)24-22(25)28-21-12-11-20(27-21)19(26)15-16-7-2-1-3-8-16;2*1-13(2)23-20(24)18(27-21(23)25)11-14-7-9-16(10-8-14)26-19-12-15-5-3-4-6-17(15)22-19;1-11-10-22-17(20)19(11)9-13-6-7-16(21-13)23-15-8-12-4-2-3-5-14(12)18-15;/h3-9,11-13H,10H2,1-2H3;1-5,7-12H,6,13-15,23H2;2*3-11,13H,12H2,1-2H3;2-7H,1,8-10H2;1H/b20-11-;;2*18-11-;;.

What are the key properties of 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 1977.92 g/mol, XLogP of 26.38, 20 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]-2-phenylethanone;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;3-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]-4-methylidene-1,3-thiazolidin-2-one;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 160976503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).