lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide

C87H106BrCl6F15LiN21O13S7 — CID 161221355

About lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide

lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide (PubChem CID 161221355) has the molecular formula C87H106BrCl6F15LiN21O13S7 and a molecular weight of 2463.95 g/mol. Its IUPAC name is lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide
• PubChem CID: 161221355
• Molecular Formula: C87H106BrCl6F15LiN21O13S7
• Molecular Weight: 2463.95 g/mol
• Exact Mass: 2458.36
• IUPAC Name: lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide
• SMILES: C.C.CBr.CC(C)C(N)=O.CC(C)C(N)=S.CC(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)c1ncc(C(=O)O)s1.CC(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(C(C)C)s1.C[C@@H](N)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.Nc1cc(C(F)(F)F)c(Cl)cn1.[H][2H].[Li+].[OH-]
• InChI: InChI=1S/C13H11ClF3N3OS.3C12H10ClF3N4OS.C9H13NO2S.C7H9NO2S.C6H4ClF3N2.C5H7ClO3.C4H9NO.C4H9NS.CH3Br.2CH4.Li.H2O.H2/c1-6(2)12-19-5-9(22-12)11(21)20-10-3-7(13(15,16)17)8(14)4-18-10;3*1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;1-4-12-9(11)7-5-10-8(13-7)6(2)3;1-4(2)6-8-3-5(11-6)7(9)10;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;2*1-3(2)4(5)6;1-2;;;;;/h3-6H,1-2H3,(H,18,20,21);3*2-5H,17H2,1H3,(H,18,20,21);5-6H,4H2,1-3H3;3-4H,1-2H3,(H,9,10);1-2H,(H2,11,12);3-4H,2H2,1H3;2*3H,1-2H3,(H2,5,6);1H3;2*1H4;;1H2;1H/q;;;;;;;;;;;;;+1;;/p-1/t;2*5-;;;;;;;;;;;;;/m.10............./s1/i;;;;;;;;;;;;;;;1+1
• InChIKey: UXOASCFYWYKDNY-ILJIIJQGSA-M
• XLogP: 22.55
• TPSA: 568.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2463.95
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide?

The IUPAC name of lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide (CID 161221355) is lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide?

The canonical SMILES for lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide is C.C.CBr.CC(C)C(N)=O.CC(C)C(N)=S.CC(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)c1ncc(C(=O)O)s1.CC(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(C(C)C)s1.C[C@@H](N)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.Nc1cc(C(F)(F)F)c(Cl)cn1.[H][2H].[Li+].[OH-].

What is the InChIKey of lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide?

The InChIKey is UXOASCFYWYKDNY-ILJIIJQGSA-M. The full InChI is InChI=1S/C13H11ClF3N3OS.3C12H10ClF3N4OS.C9H13NO2S.C7H9NO2S.C6H4ClF3N2.C5H7ClO3.C4H9NO.C4H9NS.CH3Br.2CH4.Li.H2O.H2/c1-6(2)12-19-5-9(22-12)11(21)20-10-3-7(13(15,16)17)8(14)4-18-10;3*1-5(17)11-19-4-8(22-11)10(21)20-9-2-6(12(14,15)16)7(13)3-18-9;1-4-12-9(11)7-5-10-8(13-7)6(2)3;1-4(2)6-8-3-5(11-6)7(9)10;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;2*1-3(2)4(5)6;1-2;;;;;/h3-6H,1-2H3,(H,18,20,21);3*2-5H,17H2,1H3,(H,18,20,21);5-6H,4H2,1-3H3;3-4H,1-2H3,(H,9,10);1-2H,(H2,11,12);3-4H,2H2,1H3;2*3H,1-2H3,(H2,5,6);1H3;2*1H4;;1H2;1H/q;;;;;;;;;;;;;+1;;/p-1/t;2*5-;;;;;;;;;;;;;/m.10............./s1/i;;;;;;;;;;;;;;;1+1.

What are the key properties of lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide?

lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide has a molecular weight of 2463.95 g/mol, XLogP of 22.55, 22 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[(1R)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(1S)-1-aminoethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-propan-2-yl-1,3-thiazole-5-carboxylate;methane;2-methylpropanamide;2-methylpropanethioamide;2-propan-2-yl-1,3-thiazole-5-carboxylic acid;hydroxide is sourced from PubChem (CID 161221355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).