N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C133H112ClF10N25O18S5 — CID 158162855

About N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 158162855) has the molecular formula C133H112ClF10N25O18S5 and a molecular weight of 2734.28 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
• PubChem CID: 158162855
• Molecular Formula: C133H112ClF10N25O18S5
• Molecular Weight: 2734.28 g/mol
• Exact Mass: 2731.67
• IUPAC Name: N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
• SMILES: CC(C)c1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.CCc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cn1c(=O)c2c(CC(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)cc4F)cs3)cccc2n(C)c1=O
• InChI: InChI=1S/C24H24N4O3S.C23H22N4O3S.C22H16F4N4O3S.C22H18F3N5O3.C21H16ClFN4O3S.C21H16F2N4O3S/c1-14(2)15-8-10-16(11-9-15)18-13-32-23(25-18)26-20(29)12-17-6-5-7-19-21(17)22(30)28(4)24(31)27(19)3;1-4-14-8-10-15(11-9-14)17-13-31-22(24-17)25-19(28)12-16-6-5-7-18-20(16)21(29)27(3)23(30)26(18)2;1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-13(14(23)8-11)22(24,25)26;1-28-16-8-3-5-13(19(16)20(32)29(2)21(28)33)11-18(31)26-17-9-10-30(27-17)15-7-4-6-14(12-15)22(23,24)25;1-26-16-5-3-4-12(18(16)19(29)27(2)21(26)30)9-17(28)25-20-24-15(10-31-20)11-6-7-14(23)13(22)8-11;1-26-16-5-3-4-11(18(16)19(29)27(2)21(26)30)8-17(28)25-20-24-15(10-31-20)13-7-6-12(22)9-14(13)23/h5-11,13-14H,12H2,1-4H3,(H,25,26,29);5-11,13H,4,12H2,1-3H3,(H,24,25,28);3-8,10H,9H2,1-2H3,(H,27,28,31);3-10,12H,11H2,1-2H3,(H,26,27,31);3-8,10H,9H2,1-2H3,(H,24,25,28);3-7,9-10H,8H2,1-2H3,(H,24,25,28)
• InChIKey: FWMJNGSJWDEARW-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 520.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.28
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?

The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 158162855) is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?

The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is CC(C)c1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.CCc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cn1c(=O)c2c(CC(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)cc4F)cs3)cccc2n(C)c1=O.

What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?

The InChIKey is FWMJNGSJWDEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S.C23H22N4O3S.C22H16F4N4O3S.C22H18F3N5O3.C21H16ClFN4O3S.C21H16F2N4O3S/c1-14(2)15-8-10-16(11-9-15)18-13-32-23(25-18)26-20(29)12-17-6-5-7-19-21(17)22(30)28(4)24(31)27(19)3;1-4-14-8-10-15(11-9-14)17-13-31-22(24-17)25-19(28)12-16-6-5-7-18-20(16)21(29)27(3)23(30)26(18)2;1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-13(14(23)8-11)22(24,25)26;1-28-16-8-3-5-13(19(16)20(32)29(2)21(28)33)11-18(31)26-17-9-10-30(27-17)15-7-4-6-14(12-15)22(23,24)25;1-26-16-5-3-4-12(18(16)19(29)27(2)21(26)30)9-17(28)25-20-24-15(10-31-20)11-6-7-14(23)13(22)8-11;1-26-16-5-3-4-11(18(16)19(29)27(2)21(26)30)8-17(28)25-20-24-15(10-31-20)13-7-6-12(22)9-14(13)23/h5-11,13-14H,12H2,1-4H3,(H,25,26,29);5-11,13H,4,12H2,1-3H3,(H,24,25,28);3-8,10H,9H2,1-2H3,(H,27,28,31);3-10,12H,11H2,1-2H3,(H,26,27,31);3-8,10H,9H2,1-2H3,(H,24,25,28);3-7,9-10H,8H2,1-2H3,(H,24,25,28).

What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 2734.28 g/mol, XLogP of 19.25, 26 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(2,4-difluorophenyl)-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-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 158162855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).