(5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)

C161H146ClN21O26S16 — CID 162266307

IUPAC(5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)
SMILESCC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc(Cl)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O.CCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CCNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.Cc1ccc2c(c1)CC(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.Cc1cccc2c1CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2
InChIInChI=1S/C22H22N4O4S2.C21H20N4O4S2.4C20H18N2O3S2.C19H15ClN2O3S2.C19H17N3O3S2/c1-2-23-21(28)24-10-5-11-26-20(27)17(31-22(26)29)13-15-8-9-19(30-15)32-18-12-14-6-3-4-7-16(14)25-18;1-22-20(27)23-9-4-10-25-19(26)16(30-21(25)28)12-14-7-8-18(29-14)31-17-11-13-5-2-3-6-15(13)24-17;2*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;1-11(2)22-19(23)16(26-20(22)24)9-13-7-8-18(25-13)27-17-10-14-12(3)5-4-6-15(14)21-17;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;1-10(2)22-18(23)15(26-19(22)24)9-13-4-6-17(25-13)27-16-8-11-7-12(20)3-5-14(11)21-16;1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,24,28);2-3,5-8,12H,4,9-11H2,1H3,(H2,22,23,27);2*4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-9,12H,2-3,10-11H2,1H3;3-7,9-10H,8H2,1-2H3;4-11H,1-3H3/b17-13-;16-12-;2*16-10-;16-9-;16-12-;15-9-;15-10-
InChIKeyZZYKAEPYWGVMER-QLGSYLDOSA-N
MW3339.58 g/mol
LogP40.66
Rot. Bonds34

About (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((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)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione) (PubChem CID 162266307) has the molecular formula C161H146ClN21O26S16 and a molecular weight of 3339.58 g/mol. Its IUPAC name is (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione).

Molecular Properties

Compound Name(5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)
PubChem CID162266307
Molecular FormulaC161H146ClN21O26S16
Molecular Weight3339.58 g/mol
Exact Mass3335.60
IUPAC Name(5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)
SMILESCC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc(Cl)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O.CCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CCNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.Cc1ccc2c(c1)CC(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.Cc1cccc2c1CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2
InChIInChI=1S/C22H22N4O4S2.C21H20N4O4S2.4C20H18N2O3S2.C19H15ClN2O3S2.C19H17N3O3S2/c1-2-23-21(28)24-10-5-11-26-20(27)17(31-22(26)29)13-15-8-9-19(30-15)32-18-12-14-6-3-4-7-16(14)25-18;1-22-20(27)23-9-4-10-25-19(26)16(30-21(25)28)12-14-7-8-18(29-14)31-17-11-13-5-2-3-6-15(13)24-17;2*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;1-11(2)22-19(23)16(26-20(22)24)9-13-7-8-18(25-13)27-17-10-14-12(3)5-4-6-15(14)21-17;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;1-10(2)22-18(23)15(26-19(22)24)9-13-4-6-17(25-13)27-16-8-11-7-12(20)3-5-14(11)21-16;1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,24,28);2-3,5-8,12H,4,9-11H2,1H3,(H2,22,23,27);2*4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-9,12H,2-3,10-11H2,1H3;3-7,9-10H,8H2,1-2H3;4-11H,1-3H3/b17-13-;16-12-;2*16-10-;16-9-;16-12-;15-9-;15-10-
InChIKeyZZYKAEPYWGVMER-QLGSYLDOSA-N
XLogP40.66
TPSA590.76 Ų
H-Bond Donors4
H-Bond Acceptors51
Rotatable Bonds34
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003339.58
LogP ≤ 540.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)?
The IUPAC name of (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione) (CID 162266307) is (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione).
What is the SMILES notation for (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)?
The canonical SMILES for (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione) is CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc(Cl)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3C)o2)C1=O.CCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CCNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.CNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.Cc1ccc2c(c1)CC(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.Cc1cccc2c1CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.
What is the InChIKey of (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione)?
The InChIKey is ZZYKAEPYWGVMER-QLGSYLDOSA-N. The full InChI is InChI=1S/C22H22N4O4S2.C21H20N4O4S2.4C20H18N2O3S2.C19H15ClN2O3S2.C19H17N3O3S2/c1-2-23-21(28)24-10-5-11-26-20(27)17(31-22(26)29)13-15-8-9-19(30-15)32-18-12-14-6-3-4-7-16(14)25-18;1-22-20(27)23-9-4-10-25-19(26)16(30-21(25)28)12-14-7-8-18(29-14)31-17-11-13-5-2-3-6-15(13)24-17;2*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;1-11(2)22-19(23)16(26-20(22)24)9-13-7-8-18(25-13)27-17-10-14-12(3)5-4-6-15(14)21-17;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;1-10(2)22-18(23)15(26-19(22)24)9-13-4-6-17(25-13)27-16-8-11-7-12(20)3-5-14(11)21-16;1-11(2)22-17(23)15(26-19(22)24)10-12-8-9-16(25-12)27-18-20-13-6-4-5-7-14(13)21(18)3/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,24,28);2-3,5-8,12H,4,9-11H2,1H3,(H2,22,23,27);2*4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-9,12H,2-3,10-11H2,1H3;3-7,9-10H,8H2,1-2H3;4-11H,1-3H3/b17-13-;16-12-;2*16-10-;16-9-;16-12-;15-9-;15-10-.
What are the key properties of (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((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)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione) has a molecular weight of 3339.58 g/mol, XLogP of 40.66, 34 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-butyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;1-ethyl-3-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]urea;1-[3-[(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propyl]-3-methylurea;(5Z)-5-[[5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(4-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[5-[(5-methyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione) is sourced from PubChem (CID 162266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).