(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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
C142H132N16O22S13 — CID 158129821
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCC(=O)Cc1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.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(CC(=O)c5ccccc5)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc(N)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCNC(=O)CCCCC3SCC4CC(=O)NC43)o2)C1=O
InChIInChI=1S/C32H37N5O5S3.C27H22N2O4S2.C22H20N2O4S2.C21H18N2O4S2.C21H18N2O2S2.C19H17N3O3S2/c1-19(2)37-30(40)25(44-32(37)41)17-21-12-13-28(42-21)45-31-34-22-8-3-4-9-23(22)36(31)15-7-14-33-26(38)11-6-5-10-24-29-20(18-43-24)16-27(39)35-29;1-16(2)29-26(31)23(34-27(29)32)15-20-9-11-25(33-20)35-24-14-19-12-17(8-10-21(19)28-24)13-22(30)18-6-4-3-5-7-18;1-12(2)24-21(26)18(29-22(24)27)11-16-5-7-20(28-16)30-19-10-15-9-14(8-13(3)25)4-6-17(15)23-19;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;1-13(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;1-10(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/h3-4,8-9,12-13,17,19-20,24,29H,5-7,10-11,14-16,18H2,1-2H3,(H,33,38)(H,35,39);3-12,15-16H,13-14H2,1-2H3;4-7,9,11-12H,8,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;3-11,13H,12H2,1-2H3;3-7,9-10H,8,20H2,1-2H3/b25-17-;23-15-;18-11-;17-10-;18-11-;15-9-
InChIKeyFSQCUIUZHJXDCX-VIPRYQLMSA-N
MW2831.58 g/mol
LogP33.17
Rot. Bonds34
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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
(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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 158129821) has the molecular formula C142H132N16O22S13 and a molecular weight of 2831.58 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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione |
|---|---|
| PubChem CID | 158129821 |
| Molecular Formula | C142H132N16O22S13 |
| Molecular Weight | 2831.58 g/mol |
| Exact Mass | 2828.61 |
| 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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione |
| SMILES | CC(=O)Cc1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.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(CC(=O)c5ccccc5)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc(N)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCNC(=O)CCCCC3SCC4CC(=O)NC43)o2)C1=O |
| InChI | InChI=1S/C32H37N5O5S3.C27H22N2O4S2.C22H20N2O4S2.C21H18N2O4S2.C21H18N2O2S2.C19H17N3O3S2/c1-19(2)37-30(40)25(44-32(37)41)17-21-12-13-28(42-21)45-31-34-22-8-3-4-9-23(22)36(31)15-7-14-33-26(38)11-6-5-10-24-29-20(18-43-24)16-27(39)35-29;1-16(2)29-26(31)23(34-27(29)32)15-20-9-11-25(33-20)35-24-14-19-12-17(8-10-21(19)28-24)13-22(30)18-6-4-3-5-7-18;1-12(2)24-21(26)18(29-22(24)27)11-16-5-7-20(28-16)30-19-10-15-9-14(8-13(3)25)4-6-17(15)23-19;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;1-13(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;1-10(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/h3-4,8-9,12-13,17,19-20,24,29H,5-7,10-11,14-16,18H2,1-2H3,(H,33,38)(H,35,39);3-12,15-16H,13-14H2,1-2H3;4-7,9,11-12H,8,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;3-11,13H,12H2,1-2H3;3-7,9-10H,8,20H2,1-2H3/b25-17-;23-15-;18-11-;17-10-;18-11-;15-9- |
| InChIKey | FSQCUIUZHJXDCX-VIPRYQLMSA-N |
| XLogP | 33.17 |
| TPSA | 505.03 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 193 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2831.58 |
| LogP ≤ 5 | 33.17 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 43 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 158129821) 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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-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)-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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is CC(=O)Cc1ccc2c(c1)CC(Sc1ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o1)=N2.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(CC(=O)c5ccccc5)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccc(N)cc4C3)o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CCCNC(=O)CCCCC3SCC4CC(=O)NC43)o2)C1=O.
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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is FSQCUIUZHJXDCX-VIPRYQLMSA-N. The full InChI is InChI=1S/C32H37N5O5S3.C27H22N2O4S2.C22H20N2O4S2.C21H18N2O4S2.C21H18N2O2S2.C19H17N3O3S2/c1-19(2)37-30(40)25(44-32(37)41)17-21-12-13-28(42-21)45-31-34-22-8-3-4-9-23(22)36(31)15-7-14-33-26(38)11-6-5-10-24-29-20(18-43-24)16-27(39)35-29;1-16(2)29-26(31)23(34-27(29)32)15-20-9-11-25(33-20)35-24-14-19-12-17(8-10-21(19)28-24)13-22(30)18-6-4-3-5-7-18;1-12(2)24-21(26)18(29-22(24)27)11-16-5-7-20(28-16)30-19-10-15-9-14(8-13(3)25)4-6-17(15)23-19;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;1-13(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;1-10(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/h3-4,8-9,12-13,17,19-20,24,29H,5-7,10-11,14-16,18H2,1-2H3,(H,33,38)(H,35,39);3-12,15-16H,13-14H2,1-2H3;4-7,9,11-12H,8,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;3-11,13H,12H2,1-2H3;3-7,9-10H,8,20H2,1-2H3/b25-17-;23-15-;18-11-;17-10-;18-11-;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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
(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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 2831.58 g/mol, XLogP of 33.17, 34 rotatable bonds, 3 hydrogen bond donors, and 43 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-[(5-amino-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;N-[3-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)pentanamide;(5Z)-5-[[4-(3H-indol-2-ylsulfanyl)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[[5-(2-oxopropyl)-3H-indol-2-yl]sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[5-[(5-phenacyl-3H-indol-2-yl)sulfanyl]furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158129821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158129821 — identifiers, structure, computed properties (public domain)
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