lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide

C129H147Cl4F9LiN21O32S6 — CID 157055181

IUPAClithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide
SMILESCC(C)(N)C(=O)O.CC(C)(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(NC(=O)OCc1ccccc1)C(=O)O.CC(C)(NC(=O)OCc1ccccc1)C(N)=O.CC(C)(NC(=O)OCc1ccccc1)C(N)=S.CC(C)(NC(=O)OCc1ccccc1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(NC(=O)OCc1ccccc1)c1ncc(C(=O)O)s1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(C(C)(C)NC(=O)OCc2ccccc2)s1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.S.[Li+].[OH-]
InChIInChI=1S/C21H18ClF3N4O3S.C17H20N2O4S.C15H16N2O4S.C13H12ClF3N4OS.C12H16N2O3.C12H16N2O2S.C12H11NO5.C12H15NO4.C6H4ClF3N2.C5H7ClO3.C4H9NO2.Li.H2O.H2S/c1-20(2,29-19(31)32-11-12-6-4-3-5-7-12)18-27-10-15(33-18)17(30)28-16-8-13(21(23,24)25)14(22)9-26-16;1-4-22-14(20)13-10-18-15(24-13)17(2,3)19-16(21)23-11-12-8-6-5-7-9-12;1-15(2,13-16-8-11(22-13)12(18)19)17-14(20)21-9-10-6-4-3-5-7-10;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;1-12(2,10(13)15)14-11(16)17-8-9-6-4-3-5-7-9;1-12(2,10(13)17)14-11(15)16-8-9-6-4-3-5-7-9;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;1-4(2,5)3(6)7;;;/h3-10H,11H2,1-2H3,(H,29,31)(H,26,28,30);5-10H,4,11H2,1-3H3,(H,19,21);3-8H,9H2,1-2H3,(H,17,20)(H,18,19);3-5H,18H2,1-2H3,(H,19,21,22);3-7H,8H2,1-2H3,(H2,13,15)(H,14,16);3-7H,8H2,1-2H3,(H2,13,17)(H,14,15);1-5H,6-8H2;3-7H,8H2,1-2H3,(H,13,16)(H,14,15);1-2H,(H2,11,12);3-4H,2H2,1H3;5H2,1-2H3,(H,6,7);;2*1H2/q;;;;;;;;;;;+1;;/p-1
InChIKeyAARARFXUURDGTA-UHFFFAOYSA-M
MW3015.85 g/mol
LogP21.54
Rot. Bonds39

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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide (PubChem CID 157055181) has the molecular formula C129H147Cl4F9LiN21O32S6 and a molecular weight of 3015.85 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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide.

Molecular Properties

Compound Namelithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide
PubChem CID157055181
Molecular FormulaC129H147Cl4F9LiN21O32S6
Molecular Weight3015.85 g/mol
Exact Mass3011.76
IUPAC Namelithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide
SMILESCC(C)(N)C(=O)O.CC(C)(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(NC(=O)OCc1ccccc1)C(=O)O.CC(C)(NC(=O)OCc1ccccc1)C(N)=O.CC(C)(NC(=O)OCc1ccccc1)C(N)=S.CC(C)(NC(=O)OCc1ccccc1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(NC(=O)OCc1ccccc1)c1ncc(C(=O)O)s1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(C(C)(C)NC(=O)OCc2ccccc2)s1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.S.[Li+].[OH-]
InChIInChI=1S/C21H18ClF3N4O3S.C17H20N2O4S.C15H16N2O4S.C13H12ClF3N4OS.C12H16N2O3.C12H16N2O2S.C12H11NO5.C12H15NO4.C6H4ClF3N2.C5H7ClO3.C4H9NO2.Li.H2O.H2S/c1-20(2,29-19(31)32-11-12-6-4-3-5-7-12)18-27-10-15(33-18)17(30)28-16-8-13(21(23,24)25)14(22)9-26-16;1-4-22-14(20)13-10-18-15(24-13)17(2,3)19-16(21)23-11-12-8-6-5-7-9-12;1-15(2,13-16-8-11(22-13)12(18)19)17-14(20)21-9-10-6-4-3-5-7-10;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;1-12(2,10(13)15)14-11(16)17-8-9-6-4-3-5-7-9;1-12(2,10(13)17)14-11(15)16-8-9-6-4-3-5-7-9;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;1-4(2,5)3(6)7;;;/h3-10H,11H2,1-2H3,(H,29,31)(H,26,28,30);5-10H,4,11H2,1-3H3,(H,19,21);3-8H,9H2,1-2H3,(H,17,20)(H,18,19);3-5H,18H2,1-2H3,(H,19,21,22);3-7H,8H2,1-2H3,(H2,13,15)(H,14,16);3-7H,8H2,1-2H3,(H2,13,17)(H,14,15);1-5H,6-8H2;3-7H,8H2,1-2H3,(H,13,16)(H,14,15);1-2H,(H2,11,12);3-4H,2H2,1H3;5H2,1-2H3,(H,6,7);;2*1H2/q;;;;;;;;;;;+1;;/p-1
InChIKeyAARARFXUURDGTA-UHFFFAOYSA-M
XLogP21.54
TPSA810.06 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003015.85
LogP ≤ 521.54
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

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'}

Analyze lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

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;benzyl N-(1-amino-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterium monohydride;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate;2-[1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylic acid;hydroxide
CID 159197815
lithium;2-[(1S)-1-aminoethyl]-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;2-(1-aminoethyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate;bromomethane;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterium monohydride;dubnium;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate;methane;2-[1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide
CID 160051340
lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl hydrogen carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;pyrrolidine-2,5-dione;sulfane;hydroxide
CID 162078364
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
lithium;2-amino-2-methylpropanoic acid;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;deuterio(fluoro)methane;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide
CID 162236981

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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide (CID 157055181) 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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide is CC(C)(N)C(=O)O.CC(C)(N)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(NC(=O)OCc1ccccc1)C(=O)O.CC(C)(NC(=O)OCc1ccccc1)C(N)=O.CC(C)(NC(=O)OCc1ccccc1)C(N)=S.CC(C)(NC(=O)OCc1ccccc1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(C)(NC(=O)OCc1ccccc1)c1ncc(C(=O)O)s1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(C(C)(C)NC(=O)OCc2ccccc2)s1.Nc1cc(C(F)(F)F)c(Cl)cn1.O=C(OCc1ccccc1)ON1C(=O)CCC1=O.S.[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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide?
The InChIKey is AARARFXUURDGTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H18ClF3N4O3S.C17H20N2O4S.C15H16N2O4S.C13H12ClF3N4OS.C12H16N2O3.C12H16N2O2S.C12H11NO5.C12H15NO4.C6H4ClF3N2.C5H7ClO3.C4H9NO2.Li.H2O.H2S/c1-20(2,29-19(31)32-11-12-6-4-3-5-7-12)18-27-10-15(33-18)17(30)28-16-8-13(21(23,24)25)14(22)9-26-16;1-4-22-14(20)13-10-18-15(24-13)17(2,3)19-16(21)23-11-12-8-6-5-7-9-12;1-15(2,13-16-8-11(22-13)12(18)19)17-14(20)21-9-10-6-4-3-5-7-10;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;1-12(2,10(13)15)14-11(16)17-8-9-6-4-3-5-7-9;1-12(2,10(13)17)14-11(15)16-8-9-6-4-3-5-7-9;14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9;1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9;7-4-2-12-5(11)1-3(4)6(8,9)10;1-2-9-5(8)4(6)3-7;1-4(2,5)3(6)7;;;/h3-10H,11H2,1-2H3,(H,29,31)(H,26,28,30);5-10H,4,11H2,1-3H3,(H,19,21);3-8H,9H2,1-2H3,(H,17,20)(H,18,19);3-5H,18H2,1-2H3,(H,19,21,22);3-7H,8H2,1-2H3,(H2,13,15)(H,14,16);3-7H,8H2,1-2H3,(H2,13,17)(H,14,15);1-5H,6-8H2;3-7H,8H2,1-2H3,(H,13,16)(H,14,15);1-2H,(H2,11,12);3-4H,2H2,1H3;5H2,1-2H3,(H,6,7);;2*1H2/q;;;;;;;;;;;+1;;/p-1.
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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide has a molecular weight of 3015.85 g/mol, XLogP of 21.54, 39 rotatable bonds, 16 hydrogen bond donors, and 44 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 N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;benzyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate;benzyl N-[2-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]propan-2-yl]carbamate;benzyl (2,5-dioxopyrrolidin-1-yl) carbonate;5-chloro-4-(trifluoromethyl)pyridin-2-amine;ethyl 2-chloro-3-oxopropanoate;ethyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylate;2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid;2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,3-thiazole-5-carboxylic acid;sulfane;hydroxide is sourced from PubChem (CID 157055181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).