2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
C144H96Cl4F10N30O16S8 — CID 159600075
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccco3)nn2C)s1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4ccccc4F)s3)cc2o1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/2C18H10ClF2N3O2S.C18H11ClFN3O2S.C18H13ClN4O2S.2C18H12F2N4O2S.C18H13FN4O2S.C18H15N5O2S/c2*1-8-23-13-6-10(19)9(5-14(13)26-8)18-22-7-15(27-18)24-17(25)16-11(20)3-2-4-12(16)21;1-9-22-14-7-12(19)11(6-15(14)25-9)18-21-8-16(26-18)23-17(24)10-4-2-3-5-13(10)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;2*1-24-13(8-12(23-24)14-6-3-7-26-14)18-21-9-15(27-18)22-17(25)16-10(19)4-2-5-11(16)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;1-11-5-3-7-19-16(11)17(24)21-15-10-20-18(26-15)13-9-12(22-23(13)2)14-6-4-8-25-14/h2*2-7H,1H3,(H,24,25);2-8H,1H3,(H,23,24);2-10H,1H3,(H,21,24);2*2-9H,1H3,(H,22,25);2-10H,1H3,(H,21,24);3-10H,1-2H3,(H,21,24)
InChIKeyMLJBWOUTAHAESV-UHFFFAOYSA-N
MW3090.87 g/mol
LogP37.52
Rot. Bonds29
About 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide (PubChem CID 159600075) has the molecular formula C144H96Cl4F10N30O16S8 and a molecular weight of 3090.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide |
|---|---|
| PubChem CID | 159600075 |
| Molecular Formula | C144H96Cl4F10N30O16S8 |
| Molecular Weight | 3090.87 g/mol |
| Exact Mass | 3086.40 |
| IUPAC Name | 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide |
| SMILES | Cc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccco3)nn2C)s1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4ccccc4F)s3)cc2o1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1 |
| InChI | InChI=1S/2C18H10ClF2N3O2S.C18H11ClFN3O2S.C18H13ClN4O2S.2C18H12F2N4O2S.C18H13FN4O2S.C18H15N5O2S/c2*1-8-23-13-6-10(19)9(5-14(13)26-8)18-22-7-15(27-18)24-17(25)16-11(20)3-2-4-12(16)21;1-9-22-14-7-12(19)11(6-15(14)25-9)18-21-8-16(26-18)23-17(24)10-4-2-3-5-13(10)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;2*1-24-13(8-12(23-24)14-6-3-7-26-14)18-21-9-15(27-18)22-17(25)16-10(19)4-2-5-11(16)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;1-11-5-3-7-19-16(11)17(24)21-15-10-20-18(26-15)13-9-12(22-23(13)2)14-6-4-8-25-14/h2*2-7H,1H3,(H,24,25);2-8H,1H3,(H,23,24);2-10H,1H3,(H,21,24);2*2-9H,1H3,(H,22,25);2-10H,1H3,(H,21,24);3-10H,1-2H3,(H,21,24) |
| InChIKey | MLJBWOUTAHAESV-UHFFFAOYSA-N |
| XLogP | 37.52 |
| TPSA | 581.70 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 212 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3090.87 |
| LogP ≤ 5 | 37.52 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 46 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide (CID 159600075) is 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccco3)nn2C)s1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1.Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4ccccc4F)s3)cc2o1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is MLJBWOUTAHAESV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H10ClF2N3O2S.C18H11ClFN3O2S.C18H13ClN4O2S.2C18H12F2N4O2S.C18H13FN4O2S.C18H15N5O2S/c2*1-8-23-13-6-10(19)9(5-14(13)26-8)18-22-7-15(27-18)24-17(25)16-11(20)3-2-4-12(16)21;1-9-22-14-7-12(19)11(6-15(14)25-9)18-21-8-16(26-18)23-17(24)10-4-2-3-5-13(10)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;2*1-24-13(8-12(23-24)14-6-3-7-26-14)18-21-9-15(27-18)22-17(25)16-10(19)4-2-5-11(16)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;1-11-5-3-7-19-16(11)17(24)21-15-10-20-18(26-15)13-9-12(22-23(13)2)14-6-4-8-25-14/h2*2-7H,1H3,(H,24,25);2-8H,1H3,(H,23,24);2-10H,1H3,(H,21,24);2*2-9H,1H3,(H,22,25);2-10H,1H3,(H,21,24);3-10H,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 3090.87 g/mol, XLogP of 37.52, 29 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;bis(N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2,6-difluorobenzamide);N-[2-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-5-yl]-2-fluorobenzamide;bis(2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 159600075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159600075 — identifiers, structure, computed properties (public domain)
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