2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
C117H76Cl5F7N22O11S — CID 159035465
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc2scnc2cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4C)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4F)cn3)cc2o1.Cc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C21H14F2N2O2.C20H15ClN4O2.2C19H11ClF2N4O2.C19H12ClFN4O2.C19H13ClN4OS/c1-12-19(14-5-2-3-8-17(14)27-12)13-9-10-18(24-11-13)25-21(26)20-15(22)6-4-7-16(20)23;1-11-5-3-4-6-13(11)20(26)25-19-10-22-17(9-23-19)14-7-18-16(8-15(14)21)24-12(2)27-18;2*1-9-25-14-6-11(20)10(5-16(14)28-9)15-7-24-17(8-23-15)26-19(27)18-12(21)3-2-4-13(18)22;1-10-24-15-7-13(20)12(6-17(15)27-10)16-8-23-18(9-22-16)25-19(26)11-4-2-3-5-14(11)21;1-11-6-17-15(23-10-26-17)7-13(11)16-8-22-18(9-21-16)24-19(25)12-4-2-3-5-14(12)20/h2-11H,1H3,(H,24,25,26);3-10H,1-2H3,(H,23,25,26);2*2-8H,1H3,(H,24,26,27);2-9H,1H3,(H,23,25,26);2-10H,1H3,(H,22,24,25)
InChIKeyJVKCIPNJKWZFAX-UHFFFAOYSA-N
MW2308.36 g/mol
LogP29.30
Rot. Bonds18
About 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide (PubChem CID 159035465) has the molecular formula C117H76Cl5F7N22O11S and a molecular weight of 2308.36 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 159035465 |
| Molecular Formula | C117H76Cl5F7N22O11S |
| Molecular Weight | 2308.36 g/mol |
| Exact Mass | 2304.41 |
| IUPAC Name | 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide |
| SMILES | Cc1cc2scnc2cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4C)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4F)cn3)cc2o1.Cc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1 |
| InChI | InChI=1S/C21H14F2N2O2.C20H15ClN4O2.2C19H11ClF2N4O2.C19H12ClFN4O2.C19H13ClN4OS/c1-12-19(14-5-2-3-8-17(14)27-12)13-9-10-18(24-11-13)25-21(26)20-15(22)6-4-7-16(20)23;1-11-5-3-4-6-13(11)20(26)25-19-10-22-17(9-23-19)14-7-18-16(8-15(14)21)24-12(2)27-18;2*1-9-25-14-6-11(20)10(5-16(14)28-9)15-7-24-17(8-23-15)26-19(27)18-12(21)3-2-4-13(18)22;1-10-24-15-7-13(20)12(6-17(15)27-10)16-8-23-18(9-22-16)25-19(26)11-4-2-3-5-14(11)21;1-11-6-17-15(23-10-26-17)7-13(11)16-8-22-18(9-21-16)24-19(25)12-4-2-3-5-14(12)20/h2-11H,1H3,(H,24,25,26);3-10H,1-2H3,(H,23,25,26);2*2-8H,1H3,(H,24,26,27);2-9H,1H3,(H,23,25,26);2-10H,1H3,(H,22,24,25) |
| InChIKey | JVKCIPNJKWZFAX-UHFFFAOYSA-N |
| XLogP | 29.30 |
| TPSA | 446.54 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2308.36 |
| LogP ≤ 5 | 29.30 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide (CID 159035465) is 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide is Cc1cc2scnc2cc1-c1cnc(NC(=O)c2ccccc2Cl)cn1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4C)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4F)cn3)cc2o1.Cc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The InChIKey is JVKCIPNJKWZFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2.C20H15ClN4O2.2C19H11ClF2N4O2.C19H12ClFN4O2.C19H13ClN4OS/c1-12-19(14-5-2-3-8-17(14)27-12)13-9-10-18(24-11-13)25-21(26)20-15(22)6-4-7-16(20)23;1-11-5-3-4-6-13(11)20(26)25-19-10-22-17(9-23-19)14-7-18-16(8-15(14)21)24-12(2)27-18;2*1-9-25-14-6-11(20)10(5-16(14)28-9)15-7-24-17(8-23-15)26-19(27)18-12(21)3-2-4-13(18)22;1-10-24-15-7-13(20)12(6-17(15)27-10)16-8-23-18(9-22-16)25-19(26)11-4-2-3-5-14(11)21;1-11-6-17-15(23-10-26-17)7-13(11)16-8-22-18(9-21-16)24-19(25)12-4-2-3-5-14(12)20/h2-11H,1H3,(H,24,25,26);3-10H,1-2H3,(H,23,25,26);2*2-8H,1H3,(H,24,26,27);2-9H,1H3,(H,23,25,26);2-10H,1H3,(H,22,24,25).
What are the key properties of 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide has a molecular weight of 2308.36 g/mol, XLogP of 29.30, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159035465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159035465 — identifiers, structure, computed properties (public domain)
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