magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride

C108H104Cl3F18IMgN8O11S2 — CID 158541333

About magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride

magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride (PubChem CID 158541333) has the molecular formula C108H104Cl3F18IMgN8O11S2 and a molecular weight of 2353.73 g/mol. Its IUPAC name is magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride.

Molecular Properties

• Compound Name: magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride
• PubChem CID: 158541333
• Molecular Formula: C108H104Cl3F18IMgN8O11S2
• Molecular Weight: 2353.73 g/mol
• Exact Mass: 2350.49
• IUPAC Name: magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride
• SMILES: C1CCOC1.CC(=O)c1ccc(C(F)c2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc(C(O)c2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc(I)cc1.C[CH-]C.ClCCl.O=C(O)c1ccc(C(F)c2ccc(C(F)(F)F)cc2)cc1.O=C(c1ccc(C(F)c2ccc(C(F)(F)F)cc2)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.O=Cc1ccc(C(F)(F)F)cc1.[Cl-].[Mg+2]
• InChI: InChI=1S/C26H24F4N4O2S.C16H12F4O.C16H13F3O2.C15H10F4O2.C11H16N4OS.C8H5F3O.C8H7IO.C4H8O.C3H7.CH2Cl2.ClH.Mg/c27-22(18-5-7-20(8-6-18)26(28,29)30)17-1-3-19(4-2-17)24(35)34-15-21(16-34)32-10-12-33(13-11-32)25(36)23-31-9-14-37-23;1-10(21)11-2-4-12(5-3-11)15(17)13-6-8-14(9-7-13)16(18,19)20;1-10(20)11-2-4-12(5-3-11)15(21)13-6-8-14(9-7-13)16(17,18)19;16-13(9-1-3-11(4-2-9)14(20)21)10-5-7-12(8-6-10)15(17,18)19;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;9-8(10,11)7-3-1-6(5-12)2-4-7;1-6(10)7-2-4-8(9)5-3-7;1-2-4-5-3-1;1-3-2;2-1-3;;/h1-9,14,21-22H,10-13,15-16H2;2-9,15H,1H3;2-9,15,21H,1H3;1-8,13H,(H,20,21);1,6,9,12H,2-5,7-8H2;1-5H;2-5H,1H3;1-4H2;3H,1-2H3;1H2;1H;/q;;;;;;;;-1;;;+2/p-1
• InChIKey: PQRFGWUADFZJMS-UHFFFAOYSA-M
• XLogP: 22.88
• TPSA: 240.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2353.73
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride?

The IUPAC name of magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride (CID 158541333) is magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride.

What is the SMILES notation for magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride?

The canonical SMILES for magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride is C1CCOC1.CC(=O)c1ccc(C(F)c2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc(C(O)c2ccc(C(F)(F)F)cc2)cc1.CC(=O)c1ccc(I)cc1.C[CH-]C.ClCCl.O=C(O)c1ccc(C(F)c2ccc(C(F)(F)F)cc2)cc1.O=C(c1ccc(C(F)c2ccc(C(F)(F)F)cc2)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.O=Cc1ccc(C(F)(F)F)cc1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride?

The InChIKey is PQRFGWUADFZJMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24F4N4O2S.C16H12F4O.C16H13F3O2.C15H10F4O2.C11H16N4OS.C8H5F3O.C8H7IO.C4H8O.C3H7.CH2Cl2.ClH.Mg/c27-22(18-5-7-20(8-6-18)26(28,29)30)17-1-3-19(4-2-17)24(35)34-15-21(16-34)32-10-12-33(13-11-32)25(36)23-31-9-14-37-23;1-10(21)11-2-4-12(5-3-11)15(17)13-6-8-14(9-7-13)16(18,19)20;1-10(20)11-2-4-12(5-3-11)15(21)13-6-8-14(9-7-13)16(17,18)19;16-13(9-1-3-11(4-2-9)14(20)21)10-5-7-12(8-6-10)15(17,18)19;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;9-8(10,11)7-3-1-6(5-12)2-4-7;1-6(10)7-2-4-8(9)5-3-7;1-2-4-5-3-1;1-3-2;2-1-3;;/h1-9,14,21-22H,10-13,15-16H2;2-9,15H,1H3;2-9,15,21H,1H3;1-8,13H,(H,20,21);1,6,9,12H,2-5,7-8H2;1-5H;2-5H,1H3;1-4H2;3H,1-2H3;1H2;1H;/q;;;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride?

magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride has a molecular weight of 2353.73 g/mol, XLogP of 22.88, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;dichloromethane;4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]benzoic acid;1-[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;[4-[fluoro-[4-(trifluoromethyl)phenyl]methyl]phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone;1-(4-iodophenyl)ethanone;oxolane;propane;4-(trifluoromethyl)benzaldehyde;chloride is sourced from PubChem (CID 158541333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).