N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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

C137H119Cl3F8N24O20S6 — CID 159520454

About N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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 159520454) has the molecular formula C137H119Cl3F8N24O20S6 and a molecular weight of 2872.35 g/mol. Its IUPAC name is N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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: 159520454
• Molecular Formula: C137H119Cl3F8N24O20S6
• Molecular Weight: 2872.35 g/mol
• Exact Mass: 2868.63
• IUPAC Name: N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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: CC(C)CCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.CC(C)Cc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(Cl)ccc4F)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(Cl)c(C(F)(F)F)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(OC(F)(F)F)c4)cs3)cccc2n(C)c1=O
• InChI: InChI=1S/C26H28N4O4S.C25H26N4O3S.C22H16ClF3N4O3S.C22H17F3N4O4S.2C21H16ClFN4O3S/c1-16(2)12-13-34-19-10-8-17(9-11-19)20-15-35-25(27-20)28-22(31)14-18-6-5-7-21-23(18)24(32)30(4)26(33)29(21)3;1-15(2)12-16-8-10-17(11-9-16)19-14-33-24(26-19)27-21(30)13-18-6-5-7-20-22(18)23(31)29(4)25(32)28(20)3;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)11-6-7-14(23)13(8-11)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;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;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)13-9-12(22)6-7-14(13)23/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,31);5-11,14-15H,12-13H2,1-4H3,(H,26,27,30);3-8,10H,9H2,1-2H3,(H,27,28,31);3-9,11H,10H2,1-2H3,(H,26,27,30);3-8,10H,9H2,1-2H3,(H,24,25,28);3-7,9-10H,8H2,1-2H3,(H,24,25,28)
• InChIKey: MBSRXXMYJKNRAL-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 534.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 31
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2872.35
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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?

The IUPAC name of N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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 (CID 159520454) is N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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.

What is the SMILES notation for N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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?

The canonical SMILES for N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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 is CC(C)CCOc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.CC(C)Cc1ccc(-c2csc(NC(=O)Cc3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(Cl)ccc4F)cs3)cccc2n(C)c1=O.Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(Cl)c(C(F)(F)F)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(OC(F)(F)F)c4)cs3)cccc2n(C)c1=O.

What is the InChIKey of N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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?

The InChIKey is MBSRXXMYJKNRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S.C25H26N4O3S.C22H16ClF3N4O3S.C22H17F3N4O4S.2C21H16ClFN4O3S/c1-16(2)12-13-34-19-10-8-17(9-11-19)20-15-35-25(27-20)28-22(31)14-18-6-5-7-21-23(18)24(32)30(4)26(33)29(21)3;1-15(2)12-16-8-10-17(11-9-16)19-14-33-24(26-19)27-21(30)13-18-6-5-7-20-22(18)23(31)29(4)25(32)28(20)3;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)11-6-7-14(23)13(8-11)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;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;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)13-9-12(22)6-7-14(13)23/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,31);5-11,14-15H,12-13H2,1-4H3,(H,26,27,30);3-8,10H,9H2,1-2H3,(H,27,28,31);3-9,11H,10H2,1-2H3,(H,26,27,30);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-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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 has a molecular weight of 2872.35 g/mol, XLogP of 22.03, 31 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide;N-[4-[4-chloro-3-(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-[4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[4-(2-methylpropyl)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 is sourced from PubChem (CID 159520454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).