(5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride

C101H92ClN13O19S10 — CID 160896346

About (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride

(5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 160896346) has the molecular formula C101H92ClN13O19S10 and a molecular weight of 2148.04 g/mol. Its IUPAC name is (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride
• PubChem CID: 160896346
• Molecular Formula: C101H92ClN13O19S10
• Molecular Weight: 2148.04 g/mol
• Exact Mass: 2145.35
• IUPAC Name: (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride
• SMILES: CC(=O)c1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc([N+](=O)[O-])cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCN)o2)C1=O.COc1cccc2c1CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.Cc1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.Cl
• InChI: InChI=1S/C21H22N4O3S2.C21H18N2O4S2.C20H18N2O4S2.C20H18N2O3S2.C19H15N3O5S2.ClH/c1-13(2)25-19(26)17(29-21(25)27)12-14-8-9-18(28-14)30-20-23-15-6-3-4-7-16(15)24(20)11-5-10-22;1-11(2)23-20(25)17(28-21(23)26)10-15-5-7-19(27-15)29-18-9-14-8-13(12(3)24)4-6-16(14)22-18;1-11(2)22-19(23)16(27-20(22)24)9-12-7-8-18(26-12)28-17-10-13-14(21-17)5-4-6-15(13)25-3;1-11(2)22-19(23)16(26-20(22)24)10-14-5-7-18(25-14)27-17-9-13-8-12(3)4-6-15(13)21-17;1-10(2)21-18(23)15(28-19(21)24)9-13-4-6-17(27-13)29-16-8-11-7-12(22(25)26)3-5-14(11)20-16;/h3-4,6-9,12-13H,5,10-11,22H2,1-2H3;4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3;1H/b17-12-;17-10-;16-9-;16-10-;15-9-
• InChIKey: KDXTWTDPEZGOEY-CPGZUKPSSA-N
• XLogP: 25.83
• TPSA: 415.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.04
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

The IUPAC name of (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride (CID 160896346) is (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

The canonical SMILES for (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride is CC(=O)c1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc([N+](=O)[O-])cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCN)o2)C1=O.COc1cccc2c1CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.Cc1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.Cl.

What is the InChIKey of (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

The InChIKey is KDXTWTDPEZGOEY-CPGZUKPSSA-N. The full InChI is InChI=1S/C21H22N4O3S2.C21H18N2O4S2.C20H18N2O4S2.C20H18N2O3S2.C19H15N3O5S2.ClH/c1-13(2)25-19(26)17(29-21(25)27)12-14-8-9-18(28-14)30-20-23-15-6-3-4-7-16(15)24(20)11-5-10-22;1-11(2)23-20(25)17(28-21(23)26)10-15-5-7-19(27-15)29-18-9-14-8-13(12(3)24)4-6-16(14)22-18;1-11(2)22-19(23)16(27-20(22)24)9-12-7-8-18(26-12)28-17-10-13-14(21-17)5-4-6-15(13)25-3;1-11(2)22-19(23)16(26-20(22)24)10-14-5-7-18(25-14)27-17-9-13-8-12(3)4-6-15(13)21-17;1-10(2)21-18(23)15(28-19(21)24)9-13-4-6-17(27-13)29-16-8-11-7-12(22(25)26)3-5-14(11)20-16;/h3-4,6-9,12-13H,5,10-11,22H2,1-2H3;4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3;1H/b17-12-;17-10-;16-9-;16-10-;15-9-;.

What are the key properties of (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride?

(5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 2148.04 g/mol, XLogP of 25.83, 22 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-[(5-acetyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[1-(3-aminopropyl)benzimidazol-2-yl]sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methoxy-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 160896346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).