2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide

C61H45Cl5F12N16O7S5 — CID 157080882

About 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 157080882) has the molecular formula C61H45Cl5F12N16O7S5 and a molecular weight of 1679.71 g/mol. Its IUPAC name is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 157080882
• Molecular Formula: C61H45Cl5F12N16O7S5
• Molecular Weight: 1679.71 g/mol
• Exact Mass: 1676.05
• IUPAC Name: 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide
• SMILES: C/C(=N\C(C)c1ncc(C(=O)Nc2ccc(Cl)c(C)c2)s1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(=O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C25H19Cl2F3N6O2S2.C12H10ClF3N4OS.C12H9ClF3N3O2S.C12H7ClF3N3O2S/c1-11-6-14(4-5-16(11)26)35-21(37)18-9-32-23(39-18)12(2)34-13(3)24-33-10-19(40-24)22(38)36-20-7-15(25(28,29)30)17(27)8-31-20;1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;2*1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9/h4-10,12H,1-3H3,(H,35,37)(H,31,36,38);2-5H,17H2,1H3,(H,18,20,21);2-5,20H,1H3,(H,17,19,21);2-4H,1H3,(H,17,19,21)/b34-13+;;;/t;5-;;/m.1../s1
• InChIKey: ADNHEZFSTPBYDH-MXSFWORWSA-N
• XLogP: 18.37
• TPSA: 337.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.71
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide (CID 157080882) is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide is C/C(=N\C(C)c1ncc(C(=O)Nc2ccc(Cl)c(C)c2)s1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(=O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(O)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.

What is the InChIKey of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is ADNHEZFSTPBYDH-MXSFWORWSA-N. The full InChI is InChI=1S/C25H19Cl2F3N6O2S2.C12H10ClF3N4OS.C12H9ClF3N3O2S.C12H7ClF3N3O2S/c1-11-6-14(4-5-16(11)26)35-21(37)18-9-32-23(39-18)12(2)34-13(3)24-33-10-19(40-24)22(38)36-20-7-15(25(28,29)30)17(27)8-31-20;1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;2*1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9/h4-10,12H,1-3H3,(H,35,37)(H,31,36,38);2-5H,17H2,1H3,(H,18,20,21);2-5,20H,1H3,(H,17,19,21);2-4H,1H3,(H,17,19,21)/b34-13+;;;/t;5-;;/m.1../s1.

What are the key properties of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide?

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 1679.71 g/mol, XLogP of 18.37, 16 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-(4-chloro-3-methylphenyl)-2-[1-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylideneamino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(1-hydroxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157080882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).