(5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one

C80H70N8O8S8 — CID 157218652

IUPAC(5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCn1c(=C)s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c1=O.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1C(C)C.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1C(C)CC.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1CC
InChIInChI=1S/C21H20N2O2S2.C20H18N2O2S2.C20H16N2O2S2.C19H16N2O2S2/c1-4-13(2)23-14(3)26-18(21(23)24)12-16-9-10-20(25-16)27-19-11-15-7-5-6-8-17(15)22-19;1-12(2)22-13(3)25-17(20(22)23)11-15-8-9-19(24-15)26-18-10-14-6-4-5-7-16(14)21-18;1-3-10-22-13(2)25-17(20(22)23)12-15-8-9-19(24-15)26-18-11-14-6-4-5-7-16(14)21-18;1-3-21-12(2)24-16(19(21)22)11-14-8-9-18(23-14)25-17-10-13-6-4-5-7-15(13)20-17/h5-10,12-13H,3-4,11H2,1-2H3;4-9,11-12H,3,10H2,1-2H3;3-9,12H,1-2,10-11H2;4-9,11H,2-3,10H2,1H3/b18-12+;17-11+;17-12+;16-11+
InChIKeyASSIGFYYLZRSAV-BMOWWHHGSA-N
MW1528.02 g/mol
LogP14.24
Rot. Bonds14

About (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one

(5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 157218652) has the molecular formula C80H70N8O8S8 and a molecular weight of 1528.02 g/mol. Its IUPAC name is (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID157218652
Molecular FormulaC80H70N8O8S8
Molecular Weight1528.02 g/mol
Exact Mass1526.31
IUPAC Name(5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCn1c(=C)s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c1=O.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1C(C)C.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1C(C)CC.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1CC
InChIInChI=1S/C21H20N2O2S2.C20H18N2O2S2.C20H16N2O2S2.C19H16N2O2S2/c1-4-13(2)23-14(3)26-18(21(23)24)12-16-9-10-20(25-16)27-19-11-15-7-5-6-8-17(15)22-19;1-12(2)22-13(3)25-17(20(22)23)11-15-8-9-19(24-15)26-18-10-14-6-4-5-7-16(14)21-18;1-3-10-22-13(2)25-17(20(22)23)12-15-8-9-19(24-15)26-18-11-14-6-4-5-7-16(14)21-18;1-3-21-12(2)24-16(19(21)22)11-14-8-9-18(23-14)25-17-10-13-6-4-5-7-15(13)20-17/h5-10,12-13H,3-4,11H2,1-2H3;4-9,11-12H,3,10H2,1-2H3;3-9,12H,1-2,10-11H2;4-9,11H,2-3,10H2,1H3/b18-12+;17-11+;17-12+;16-11+
InChIKeyASSIGFYYLZRSAV-BMOWWHHGSA-N
XLogP14.24
TPSA190.00 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001528.02
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 158257308
ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 162118981
5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methyl]pyrrolidine-2,4-dione
CID 160849738
(11S)-11-(3,4-dimethoxyphenyl)-14-[(5-phenylsulfanylfuran-2-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 129444460
(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-[(4-chloro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5,6-dichloro-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)-5-[[5-[(5-nitro-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-3-propan-2-yl-5-[[5-[(5-propan-2-yl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 160957889
(14Z)-14-[[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 6530061
2-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2891497
4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 118012649
ethyl (2E,5S)-3-oxo-7-phenyl-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126002167
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130811
ethyl (2E,5S)-7-methyl-5-(4-methylphenyl)-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126089768
2-(1,3-benzothiazol-2-yl)-2-[4-oxo-3-prop-2-enyl-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetonitrile
CID 5008391

Frequently Asked Questions

What is the IUPAC name of (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 157218652) is (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCn1c(=C)s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c1=O.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1C(C)C.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1C(C)CC.C=c1s/c(=C/c2ccc(SC3=Nc4ccccc4C3)o2)c(=O)n1CC.
What is the InChIKey of (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is ASSIGFYYLZRSAV-BMOWWHHGSA-N. The full InChI is InChI=1S/C21H20N2O2S2.C20H18N2O2S2.C20H16N2O2S2.C19H16N2O2S2/c1-4-13(2)23-14(3)26-18(21(23)24)12-16-9-10-20(25-16)27-19-11-15-7-5-6-8-17(15)22-19;1-12(2)22-13(3)25-17(20(22)23)11-15-8-9-19(24-15)26-18-10-14-6-4-5-7-16(14)21-18;1-3-10-22-13(2)25-17(20(22)23)12-15-8-9-19(24-15)26-18-11-14-6-4-5-7-16(14)21-18;1-3-21-12(2)24-16(19(21)22)11-14-8-9-18(23-14)25-17-10-13-6-4-5-7-15(13)20-17/h5-10,12-13H,3-4,11H2,1-2H3;4-9,11-12H,3,10H2,1-2H3;3-9,12H,1-2,10-11H2;4-9,11H,2-3,10H2,1H3/b18-12+;17-11+;17-12+;16-11+.
What are the key properties of (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one?
(5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 1528.02 g/mol, XLogP of 14.24, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-butan-2-yl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-3-ethyl-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one;(5E)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 157218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).