2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide

C106H89Cl5F15N27O16S5 — CID 159557207

About 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide

2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 159557207) has the molecular formula C106H89Cl5F15N27O16S5 and a molecular weight of 2619.62 g/mol. Its IUPAC name is 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide
• PubChem CID: 159557207
• Molecular Formula: C106H89Cl5F15N27O16S5
• Molecular Weight: 2619.62 g/mol
• Exact Mass: 2615.38
• IUPAC Name: 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide
• SMILES: CC(CC(=O)c1cc(C(=O)CCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(C(=O)N(C)C)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ccncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)c1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCCCC(=O)c1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.O=C=O
• InChI: InChI=1S/C23H21ClF3N5O3S.C22H20ClF3N6O3S.C21H18ClF3N6O3S.C21H17ClF3N5O3S.C18H13ClF3N5O2S.CO2/c1-3-4-5-17(33)15-8-16(31-11-30-15)18(34)6-12(2)22-29-10-19(36-22)21(35)32-20-7-13(23(25,26)27)14(24)9-28-20;1-11(5-17(34)15-7-14(30-10-31-15)16(33)3-2-4-27)21-29-9-18(36-21)20(35)32-19-6-12(22(24,25)26)13(23)8-28-19;1-10(4-15(32)13-6-14(29-9-28-13)20(34)31(2)3)19-27-8-16(35-19)18(33)30-17-5-11(21(23,24)25)12(22)7-26-17;1-3-15(31)13-6-14(29-9-28-13)16(32)4-10(2)20-27-8-17(34-20)19(33)30-18-5-11(21(23,24)25)12(22)7-26-18;1-9(4-13(28)12-2-3-23-8-26-12)17-25-7-14(30-17)16(29)27-15-5-10(18(20,21)22)11(19)6-24-15;2-1-3/h7-12H,3-6H2,1-2H3,(H,28,32,35);6-11H,2-5,27H2,1H3,(H,28,32,35);5-10H,4H2,1-3H3,(H,26,30,33);5-10H,3-4H2,1-2H3,(H,26,30,33);2-3,5-9H,4H2,1H3,(H,24,27,29)
• InChIKey: MGDLWYVYZAEBAY-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 620.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2619.62
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 159557207) is 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(C(=O)CCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(C(=O)N(C)C)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ccncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)c1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCCCC(=O)c1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.O=C=O.

What is the InChIKey of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide?

The InChIKey is MGDLWYVYZAEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N5O3S.C22H20ClF3N6O3S.C21H18ClF3N6O3S.C21H17ClF3N5O3S.C18H13ClF3N5O2S.CO2/c1-3-4-5-17(33)15-8-16(31-11-30-15)18(34)6-12(2)22-29-10-19(36-22)21(35)32-20-7-13(23(25,26)27)14(24)9-28-20;1-11(5-17(34)15-7-14(30-10-31-15)16(33)3-2-4-27)21-29-9-18(36-21)20(35)32-19-6-12(22(24,25)26)13(23)8-28-19;1-10(4-15(32)13-6-14(29-9-28-13)20(34)31(2)3)19-27-8-16(35-19)18(33)30-17-5-11(21(23,24)25)12(22)7-26-17;1-3-15(31)13-6-14(29-9-28-13)16(32)4-10(2)20-27-8-17(34-20)19(33)30-18-5-11(21(23,24)25)12(22)7-26-18;1-9(4-13(28)12-2-3-23-8-26-12)17-25-7-14(30-17)16(29)27-15-5-10(18(20,21)22)11(19)6-24-15;2-1-3/h7-12H,3-6H2,1-2H3,(H,28,32,35);6-11H,2-5,27H2,1H3,(H,28,32,35);5-10H,4H2,1-3H3,(H,26,30,33);5-10H,3-4H2,1-2H3,(H,26,30,33);2-3,5-9H,4H2,1H3,(H,24,27,29);.

What are the key properties of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide?

2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 2619.62 g/mol, XLogP of 24.15, 41 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;carbon dioxide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(dimethylcarbamoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-oxo-4-pyrimidin-4-ylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159557207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).