lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide

C88H120Cl4F10LiN15O20S6 — CID 162140799

About lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide

lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide (PubChem CID 162140799) has the molecular formula C88H120Cl4F10LiN15O20S6 and a molecular weight of 2240.15 g/mol. Its IUPAC name is lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide.

Molecular Properties

• Compound Name: lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide
• PubChem CID: 162140799
• Molecular Formula: C88H120Cl4F10LiN15O20S6
• Molecular Weight: 2240.15 g/mol
• Exact Mass: 2236.60
• IUPAC Name: lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide
• SMILES: CC(C)(C)C(=O)O.CC(C)(C)C(N)=O.CC(C)(C)C(N)=S.CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(C)c1ncc(C(=O)O)s1.CC(C)(N)C(=O)O.CC(C)(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)C)s1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.S.[2H]CF.[Li+].[OH-]
• InChI: InChI=1S/C14H13ClF3N3OS.C13H12ClF3N4OS.C12H11NO5.C10H15NO2S.C8H11NO2S.C6H4ClF3N2.C5H7ClO3.C5H11NO.C5H11NS.C5H10O2.C4H9NO2.CH3F.Li.H2O.H2S/c1-13(2,3)12-20-6-9(23-12)11(22)21-10-4-7(14(16,17)18)8(15)5-19-10;1-12(2,18)11-20-5-8(23-11)10(22)21-9-3-6(13(15,16)17)7(14)4-19-9;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-5-13-8(12)7-6-11-9(14-7)10(2,3)4;1-8(2,3)7-9-4-5(12-7)6(10)11;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;3*1-5(2,3)4(6)7;1-4(2,5)3(6)7;1-2;;;/h4-6H,1-3H3,(H,19,21,22);3-5H,18H2,1-2H3,(H,19,21,22);1-5H,6-8H2;6H,5H2,1-4H3;4H,1-3H3,(H,10,11);1-2H,(H2,11,12);3-4H,2H2,1H3;2*1-3H3,(H2,6,7);1-3H3,(H,6,7);5H2,1-2H3,(H,6,7);1H3;;2*1H2/q;;;;;;;;;;;;+1;;/p-1/i;;;;;;;;;;;1D
• InChIKey: ZJXAGFDFXIKHFX-FAHBZGCNSA-M
• XLogP: 17.56
• TPSA: 580.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2240.15
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide?

The IUPAC name of lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide (CID 162140799) is lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide.

What is the SMILES notation for lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide?

The canonical SMILES for lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide is CC(C)(C)C(=O)O.CC(C)(C)C(N)=O.CC(C)(C)C(N)=S.CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(C)c1ncc(C(=O)O)s1.CC(C)(N)C(=O)O.CC(C)(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)C)s1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.S.[2H]CF.[Li+].[OH-].

What is the InChIKey of lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide?

The InChIKey is ZJXAGFDFXIKHFX-FAHBZGCNSA-M. The full InChI is InChI=1S/C14H13ClF3N3OS.C13H12ClF3N4OS.C12H11NO5.C10H15NO2S.C8H11NO2S.C6H4ClF3N2.C5H7ClO3.C5H11NO.C5H11NS.C5H10O2.C4H9NO2.CH3F.Li.H2O.H2S/c1-13(2,3)12-20-6-9(23-12)11(22)21-10-4-7(14(16,17)18)8(15)5-19-10;1-12(2,18)11-20-5-8(23-11)10(22)21-9-3-6(13(15,16)17)7(14)4-19-9;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-5-13-8(12)7-6-11-9(14-7)10(2,3)4;1-8(2,3)7-9-4-5(12-7)6(10)11;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;3*1-5(2,3)4(6)7;1-4(2,5)3(6)7;1-2;;;/h4-6H,1-3H3,(H,19,21,22);3-5H,18H2,1-2H3,(H,19,21,22);1-5H,6-8H2;6H,5H2,1-4H3;4H,1-3H3,(H,10,11);1-2H,(H2,11,12);3-4H,2H2,1H3;2*1-3H3,(H2,6,7);1-3H3,(H,6,7);5H2,1-2H3,(H,6,7);1H3;;2*1H2/q;;;;;;;;;;;;+1;;/p-1/i;;;;;;;;;;;1D;;;.

What are the key properties of lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide?

lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide has a molecular weight of 2240.15 g/mol, XLogP of 17.56, 15 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;2-tert-butyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-1,3-thiazole-5-carboxylic acid;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;2,2-dimethylpropanamide;2,2-dimethylpropanethioamide;2,2-dimethylpropanoic acid;ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate;ethyl 2-chloro-3-oxopropanoate;sulfane;hydroxide is sourced from PubChem (CID 162140799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).