2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol

C41H34Cl2F6N8O6S2 — CID 161126176

About 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol (PubChem CID 161126176) has the molecular formula C41H34Cl2F6N8O6S2 and a molecular weight of 983.80 g/mol. Its IUPAC name is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol.

Molecular Properties

• Compound Name: 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol
• PubChem CID: 161126176
• Molecular Formula: C41H34Cl2F6N8O6S2
• Molecular Weight: 983.80 g/mol
• Exact Mass: 982.13
• IUPAC Name: 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol
• SMILES: C/C(=N\CC(=O)c1ccccc1)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.CO.NCC(=O)c1ccccc1
• InChI: InChI=1S/C20H14ClF3N4O2S.C12H7ClF3N3O2S.C8H9NO.CH4O/c1-11(25-9-15(29)12-5-3-2-4-6-12)19-27-10-16(31-19)18(30)28-17-7-13(20(22,23)24)14(21)8-26-17;1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9;9-6-8(10)7-4-2-1-3-5-7;1-2/h2-8,10H,9H2,1H3,(H,26,28,30);2-4H,1H3,(H,17,19,21);1-5H,6,9H2;2H,1H3/b25-11+
• InChIKey: ULOXDBDBTBRKGX-GPQFMGDHSA-N
• XLogP: 9.26
• TPSA: 219.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.80
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol?

The IUPAC name of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol (CID 161126176) is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol.

What is the SMILES notation for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol?

The canonical SMILES for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol is C/C(=N\CC(=O)c1ccccc1)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.CO.NCC(=O)c1ccccc1.

What is the InChIKey of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol?

The InChIKey is ULOXDBDBTBRKGX-GPQFMGDHSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2S.C12H7ClF3N3O2S.C8H9NO.CH4O/c1-11(25-9-15(29)12-5-3-2-4-6-12)19-27-10-16(31-19)18(30)28-17-7-13(20(22,23)24)14(21)8-26-17;1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9;9-6-8(10)7-4-2-1-3-5-7;1-2/h2-8,10H,9H2,1H3,(H,26,28,30);2-4H,1H3,(H,17,19,21);1-5H,6,9H2;2H,1H3/b25-11+;;;.

What are the key properties of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol?

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol has a molecular weight of 983.80 g/mol, XLogP of 9.26, 11 rotatable bonds, 4 hydrogen bond donors, and 14 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-amino-1-phenylethanone;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(C-methyl-N-phenacylcarbonimidoyl)-1,3-thiazole-5-carboxamide;methanol is sourced from PubChem (CID 161126176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).