2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride

C80H63Cl6F15N18O17S5 — CID 172988297

About 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride (PubChem CID 172988297) has the molecular formula C80H63Cl6F15N18O17S5 and a molecular weight of 2206.52 g/mol. Its IUPAC name is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride.

Molecular Properties

• Compound Name: 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride
• PubChem CID: 172988297
• Molecular Formula: C80H63Cl6F15N18O17S5
• Molecular Weight: 2206.52 g/mol
• Exact Mass: 2202.11
• IUPAC Name: 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride
• SMILES: C/C(=N\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.CC(=O)c1ncc(C(=O)O)s1.CC(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC([NH3+])c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1.Cl.Nc1cc(C(F)(F)F)c(Cl)cn1
• InChI: InChI=1S/C20H18O8.C12H8ClF3N4O2S.2C12H10ClF3N4OS.C12H7ClF3N3O2S.C6H4ClF3N2.C6H5NO3S.ClH/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-5(20-22)11-18-4-8(23-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9;2*1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9;7-4-2-12-5(11)1-3(4)6(8,9)10;1-3(8)5-7-2-4(11-5)6(9)10;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2-4,22H,1H3,(H,17,19,21);2*2-5H,17H2,1H3,(H,18,20,21);2-4H,1H3,(H,17,19,21);1-2H,(H2,11,12);2H,1H3,(H,9,10);1H/b;20-5+;;;;;;/t15-,16-;;;;;;;/m0......./s1
• InChIKey: OWRHDLJWXIAQPJ-PFYPOTENSA-N
• XLogP: 18.26
• TPSA: 559.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.52
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride?

The IUPAC name of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride (CID 172988297) is 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride.

What is the SMILES notation for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride?

The canonical SMILES for 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride is C/C(=N\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.CC(=O)c1ncc(C(=O)O)s1.CC(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC([NH3+])c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1.Cl.Nc1cc(C(F)(F)F)c(Cl)cn1.

What is the InChIKey of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride?

The InChIKey is OWRHDLJWXIAQPJ-PFYPOTENSA-N. The full InChI is InChI=1S/C20H18O8.C12H8ClF3N4O2S.2C12H10ClF3N4OS.C12H7ClF3N3O2S.C6H4ClF3N2.C6H5NO3S.ClH/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-5(20-22)11-18-4-8(23-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9;2*1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9;7-4-2-12-5(11)1-3(4)6(8,9)10;1-3(8)5-7-2-4(11-5)6(9)10;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2-4,22H,1H3,(H,17,19,21);2*2-5H,17H2,1H3,(H,18,20,21);2-4H,1H3,(H,17,19,21);1-2H,(H2,11,12);2H,1H3,(H,9,10);1H/b;20-5+;;;;;;/t15-,16-;;;;;;;/m0......./s1.

What are the key properties of 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride?

2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride has a molecular weight of 2206.52 g/mol, XLogP of 18.26, 21 rotatable bonds, 10 hydrogen bond donors, and 33 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-acetyl-1,3-thiazole-5-carboxylic acid;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylazanium;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazole-5-carboxamide;(2S,3S)-4-hydroxy-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoate;hydrochloride is sourced from PubChem (CID 172988297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).