N-[4-[3-chloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
C130H97Cl2F17N24O21S6 — CID 159616322
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[4-[3-chloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
N-[4-[3-chloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 159616322) has the molecular formula C130H97Cl2F17N24O21S6 and a molecular weight of 2917.63 g/mol. Its IUPAC name is N-[4-[3-chloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
Molecular Properties
| Compound Name | N-[4-[3-chloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide |
|---|---|
| PubChem CID | 159616322 |
| Molecular Formula | C130H97Cl2F17N24O21S6 |
| Molecular Weight | 2917.63 g/mol |
| Exact Mass | 2914.47 |
| IUPAC Name | N-[4-[3-chloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide |
| SMILES | Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4F)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)F)c(Cl)c4)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(Cl)c4F)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(F)c4F)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(OC(F)(F)F)c4)cs3)cccc2n(C)c1=O |
| InChI | InChI=1S/C22H17ClF2N4O4S.C22H15F5N4O3S.C22H16F4N4O4S.C22H17F3N4O4S.C21H16ClFN4O3S.C21H16F2N4O3S/c1-28-15-5-3-4-12(18(15)19(31)29(2)22(28)32)9-17(30)27-21-26-14(10-34-21)11-6-7-16(13(23)8-11)33-20(24)25;1-30-14-5-3-4-10(16(14)19(33)31(2)21(30)34)8-15(32)29-20-28-13(9-35-20)11-6-7-12(22(25,26)27)18(24)17(11)23;1-29-15-5-3-4-12(18(15)19(32)30(2)21(29)33)9-17(31)28-20-27-14(10-35-20)11-6-7-16(13(23)8-11)34-22(24,25)26;1-28-16-8-4-6-13(18(16)19(31)29(2)21(28)32)10-17(30)27-20-26-15(11-34-20)12-5-3-7-14(9-12)33-22(23,24)25;2*1-26-15-8-3-5-11(17(15)19(29)27(2)21(26)30)9-16(28)25-20-24-14(10-31-20)12-6-4-7-13(22)18(12)23/h3-8,10,20H,9H2,1-2H3,(H,26,27,30);3-7,9H,8H2,1-2H3,(H,28,29,32);3-8,10H,9H2,1-2H3,(H,27,28,31);3-9,11H,10H2,1-2H3,(H,26,27,30);2*3-8,10H,9H2,1-2H3,(H,24,25,28) |
| InChIKey | MNIFTYLYKCRTSI-UHFFFAOYSA-N |
| XLogP | 20.81 |
| TPSA | 543.63 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 200 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2917.63 |
| LogP ≤ 5 | 20.81 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 45 |
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Sources
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