4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
C140H92N10O17S9 — CID 164968569
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1ccc2cc(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.c1ccc2c(-c3cnc(-c4ccoc4)s3)coc2c1.c1ccc2oc(-c3csc(-c4ccoc4)n3)cc2c1.c1coc(-c2nc(-c3coc4ccccc34)cs2)c1.c1coc(-c2ncc(-c3cc4ccccc4o3)s2)c1
InChIInChI=1S/C16H12N2OS.4C16H11NO2S.4C15H9NO2S/c1-10-4-5-11-8-15(19-14(11)7-10)13-9-20-16(18-13)12-3-2-6-17-12;2*1-10-2-3-11-7-15(19-14(11)6-10)13-9-20-16(17-13)12-4-5-18-8-12;2*1-10-4-5-11-8-15(19-14(11)7-10)12-9-20-16(17-12)13-3-2-6-18-13;1-2-5-13-10(4-1)11(8-18-13)12-9-19-15(16-12)14-6-3-7-17-14;1-2-5-11-10(4-1)8-13(18-11)14-9-16-15(19-14)12-6-3-7-17-12;1-2-4-13-11(3-1)12(9-18-13)14-7-16-15(19-14)10-5-6-17-8-10;1-2-4-13-10(3-1)7-14(18-13)12-9-19-15(16-12)11-5-6-17-8-11/h2-9,17H,1H3;4*2-9H,1H3;4*1-9H
InChIKeyCUQKWXJLKKLXBY-UHFFFAOYSA-N
MW2474.93 g/mol
LogP44.62
Rot. Bonds18
About 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 164968569) has the molecular formula C140H92N10O17S9 and a molecular weight of 2474.93 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole.
Molecular Properties
| Compound Name | 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole |
|---|---|
| PubChem CID | 164968569 |
| Molecular Formula | C140H92N10O17S9 |
| Molecular Weight | 2474.93 g/mol |
| Exact Mass | 2472.41 |
| IUPAC Name | 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole |
| SMILES | Cc1ccc2cc(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.c1ccc2c(-c3cnc(-c4ccoc4)s3)coc2c1.c1ccc2oc(-c3csc(-c4ccoc4)n3)cc2c1.c1coc(-c2nc(-c3coc4ccccc34)cs2)c1.c1coc(-c2ncc(-c3cc4ccccc4o3)s2)c1 |
| InChI | InChI=1S/C16H12N2OS.4C16H11NO2S.4C15H9NO2S/c1-10-4-5-11-8-15(19-14(11)7-10)13-9-20-16(18-13)12-3-2-6-17-12;2*1-10-2-3-11-7-15(19-14(11)6-10)13-9-20-16(17-13)12-4-5-18-8-12;2*1-10-4-5-11-8-15(19-14(11)7-10)12-9-20-16(17-12)13-3-2-6-18-13;1-2-5-13-10(4-1)11(8-18-13)12-9-19-15(16-12)14-6-3-7-17-14;1-2-5-11-10(4-1)8-13(18-11)14-9-16-15(19-14)12-6-3-7-17-12;1-2-4-13-11(3-1)12(9-18-13)14-7-16-15(19-14)10-5-6-17-8-10;1-2-4-13-10(3-1)7-14(18-13)12-9-19-15(16-12)11-5-6-17-8-11/h2-9,17H,1H3;4*2-9H,1H3;4*1-9H |
| InChIKey | CUQKWXJLKKLXBY-UHFFFAOYSA-N |
| XLogP | 44.62 |
| TPSA | 355.18 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 176 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2474.93 |
| LogP ≤ 5 | 44.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole (CID 164968569) is 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole is Cc1ccc2cc(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccco4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.c1ccc2c(-c3cnc(-c4ccoc4)s3)coc2c1.c1ccc2oc(-c3csc(-c4ccoc4)n3)cc2c1.c1coc(-c2nc(-c3coc4ccccc34)cs2)c1.c1coc(-c2ncc(-c3cc4ccccc4o3)s2)c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is CUQKWXJLKKLXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS.4C16H11NO2S.4C15H9NO2S/c1-10-4-5-11-8-15(19-14(11)7-10)13-9-20-16(18-13)12-3-2-6-17-12;2*1-10-2-3-11-7-15(19-14(11)6-10)13-9-20-16(17-13)12-4-5-18-8-12;2*1-10-4-5-11-8-15(19-14(11)7-10)12-9-20-16(17-12)13-3-2-6-18-13;1-2-5-13-10(4-1)11(8-18-13)12-9-19-15(16-12)14-6-3-7-17-14;1-2-5-11-10(4-1)8-13(18-11)14-9-16-15(19-14)12-6-3-7-17-12;1-2-4-13-11(3-1)12(9-18-13)14-7-16-15(19-14)10-5-6-17-8-10;1-2-4-13-10(3-1)7-14(18-13)12-9-19-15(16-12)11-5-6-17-8-11/h2-9,17H,1H3;4*2-9H,1H3;4*1-9H.
What are the key properties of 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 2474.93 g/mol, XLogP of 44.62, 18 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 164968569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 164968569 — identifiers, structure, computed properties (public domain)
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