lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate

C94H106ClLiN12O9S2 — CID 157195337

About lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate

lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate (PubChem CID 157195337) has the molecular formula C94H106ClLiN12O9S2 and a molecular weight of 1654.48 g/mol. Its IUPAC name is lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate
• PubChem CID: 157195337
• Molecular Formula: C94H106ClLiN12O9S2
• Molecular Weight: 1654.48 g/mol
• Exact Mass: 1652.75
• IUPAC Name: lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate
• SMILES: C.C.CC(=O)c1ccc2c(Cc3ccccc3)cn(C)c2c1.CC(=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.O=C(c1nccs1)N1CCN(C2CNC2)CC1.[Li+].[OH-]
• InChI: InChI=1S/C28H29N5O2S.C18H17NO.C17H15NO2.C11H16N4OS.C11H11NO.C7H7Cl.2CH4.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;1-13(20)15-8-9-17-16(12-19(2)18(17)11-15)10-14-6-4-3-5-7-14;1-18-11-14(9-12-5-3-2-4-6-12)15-8-7-13(17(19)20)10-16(15)18;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-8(13)10-4-3-9-5-6-12(2)11(9)7-10;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);1,6,9,12H,2-5,7-8H2;3-7H,1-2H3;1-5H,6H2;2*1H4;;2*1H2/q;;;;;;;;+1;;/p-1
• InChIKey: FFUAYPAHPPIGCT-UHFFFAOYSA-M
• XLogP: 12.90
• TPSA: 257.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1654.48
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate?

The IUPAC name of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate (CID 157195337) is lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate.

What is the SMILES notation for lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate?

The canonical SMILES for lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate is C.C.CC(=O)c1ccc2c(Cc3ccccc3)cn(C)c2c1.CC(=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.O=C(c1nccs1)N1CCN(C2CNC2)CC1.[Li+].[OH-].

What is the InChIKey of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate?

The InChIKey is FFUAYPAHPPIGCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H29N5O2S.C18H17NO.C17H15NO2.C11H16N4OS.C11H11NO.C7H7Cl.2CH4.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;1-13(20)15-8-9-17-16(12-19(2)18(17)11-15)10-14-6-4-3-5-7-14;1-18-11-14(9-12-5-3-2-4-6-12)15-8-7-13(17(19)20)10-16(15)18;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-8(13)10-4-3-9-5-6-12(2)11(9)7-10;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);1,6,9,12H,2-5,7-8H2;3-7H,1-2H3;1-5H,6H2;2*1H4;;2*1H2/q;;;;;;;;+1;;/p-1.

What are the key properties of lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate?

lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate has a molecular weight of 1654.48 g/mol, XLogP of 12.90, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;3-benzyl-1-methylindole-6-carboxylic acid;1-(3-benzyl-1-methylindol-6-yl)ethanone;(3-benzyl-1-methylindol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;chloromethylbenzene;methane;1-(1-methylindol-6-yl)ethanone;hydroxide;hydrate is sourced from PubChem (CID 157195337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).