lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate

C92H100ClLiN12O11S2 — CID 157270106

About lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate

lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate (PubChem CID 157270106) has the molecular formula C92H100ClLiN12O11S2 and a molecular weight of 1656.41 g/mol. Its IUPAC name is lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate
• PubChem CID: 157270106
• Molecular Formula: C92H100ClLiN12O11S2
• Molecular Weight: 1656.41 g/mol
• Exact Mass: 1654.69
• IUPAC Name: lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate
• SMILES: CN(CCN(C)C1CNC1)C(=O)c1nccs1.COC(=O)c1ccc2c(Cc3ccccc3)cn(C)c2c1.COC(=O)c1ccc2ccn(C)c2c1.ClCc1ccccc1.Cn1cc(Cc2ccccc2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc21.Cn1cc(Cc2ccccc2)c2ccc(C(=O)O)cc21.O.[Li+].[OH-]
• InChI: InChI=1S/C28H29N5O2S.C18H17NO2.C17H15NO2.C11H18N4OS.C11H11NO2.C7H7Cl.Li.2H2O/c1-30-17-22(15-20-5-3-2-4-6-20)24-8-7-21(16-25(24)30)27(34)33-18-23(19-33)31-10-12-32(13-11-31)28(35)26-29-9-14-36-26;1-19-12-15(10-13-6-4-3-5-7-13)16-9-8-14(11-17(16)19)18(20)21-2;1-18-11-14(9-12-5-3-2-4-6-12)15-8-7-13(17(19)20)10-16(15)18;1-14(9-7-12-8-9)4-5-15(2)11(16)10-13-3-6-17-10;1-12-6-5-8-3-4-9(7-10(8)12)11(13)14-2;8-6-7-4-2-1-3-5-7;;;/h2-9,14,16-17,23H,10-13,15,18-19H2,1H3;3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,19,20);3,6,9,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3;1-5H,6H2;;2*1H2/q;;;;;;+1;;/p-1
• InChIKey: IRPMXVWUZYXVSL-UHFFFAOYSA-M
• XLogP: 11.04
• TPSA: 276.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.41
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate?

The IUPAC name of lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate (CID 157270106) is lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate.

What is the SMILES notation for lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate?

The canonical SMILES for lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate is CN(CCN(C)C1CNC1)C(=O)c1nccs1.COC(=O)c1ccc2c(Cc3ccccc3)cn(C)c2c1.COC(=O)c1ccc2ccn(C)c2c1.ClCc1ccccc1.Cn1cc(Cc2ccccc2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5nccs5)CC4)C3)cc21.Cn1cc(Cc2ccccc2)c2ccc(C(=O)O)cc21.O.[Li+].[OH-].

What is the InChIKey of lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate?

The InChIKey is IRPMXVWUZYXVSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H29N5O2S.C18H17NO2.C17H15NO2.C11H18N4OS.C11H11NO2.C7H7Cl.Li.2H2O/c1-30-17-22(15-20-5-3-2-4-6-20)24-8-7-21(16-25(24)30)27(34)33-18-23(19-33)31-10-12-32(13-11-31)28(35)26-29-9-14-36-26;1-19-12-15(10-13-6-4-3-5-7-13)16-9-8-14(11-17(16)19)18(20)21-2;1-18-11-14(9-12-5-3-2-4-6-12)15-8-7-13(17(19)20)10-16(15)18;1-14(9-7-12-8-9)4-5-15(2)11(16)10-13-3-6-17-10;1-12-6-5-8-3-4-9(7-10(8)12)11(13)14-2;8-6-7-4-2-1-3-5-7;;;/h2-9,14,16-17,23H,10-13,15,18-19H2,1H3;3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,19,20);3,6,9,12H,4-5,7-8H2,1-2H3;3-7H,1-2H3;1-5H,6H2;;2*1H2/q;;;;;;+1;;/p-1.

What are the key properties of lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate?

lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate has a molecular weight of 1656.41 g/mol, XLogP of 11.04, 18 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-[2-[azetidin-3-yl(methyl)amino]ethyl]-N-methyl-1,3-thiazole-2-carboxamide;3-benzyl-1-methylindole-6-carboxylic acid;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methyl 3-benzyl-1-methylindole-6-carboxylate;methyl 1-methylindole-6-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 157270106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).