magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide

C60H73BrMgN10O7S3 — CID 159486748

About magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide

magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide (PubChem CID 159486748) has the molecular formula C60H73BrMgN10O7S3 and a molecular weight of 1246.72 g/mol. Its IUPAC name is magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide.

Molecular Properties

• Compound Name: magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide
• PubChem CID: 159486748
• Molecular Formula: C60H73BrMgN10O7S3
• Molecular Weight: 1246.72 g/mol
• Exact Mass: 1244.39
• IUPAC Name: magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide
• SMILES: COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)sc1C.COC(=O)c1nc([C@@H]2CC[C@@H](C)NC2)sc1C.Cc1sc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)nc1C(C)(C)O.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C24H28N4O2S.C23H24N4O3S.C12H18N2O2S.CH3.BrH.Mg/c1-15-10-11-17(22-27-20(16(2)31-22)24(3,4)30)14-28(15)23(29)19-9-6-5-8-18(19)21-25-12-7-13-26-21;1-14-9-10-16(21-26-19(15(2)31-21)23(29)30-3)13-27(14)22(28)18-8-5-4-7-17(18)20-24-11-6-12-25-20;1-7-4-5-9(6-13-7)11-14-10(8(2)17-11)12(15)16-3;;;/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3;4-8,11-12,14,16H,9-10,13H2,1-3H3;7,9,13H,4-6H2,1-3H3;1H3;1H;/q;;;-1;;+2/p-1/t15-,17-;14-,16-;7-,9-;;;/m111.../s1
• InChIKey: NGEGXDCSZNOTSG-CHBUXHJPSA-M
• XLogP: 7.81
• TPSA: 215.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.72
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide?

The IUPAC name of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide (CID 159486748) is magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide.

What is the SMILES notation for magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide?

The canonical SMILES for magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide is COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)sc1C.COC(=O)c1nc([C@@H]2CC[C@@H](C)NC2)sc1C.Cc1sc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-c3ncccn3)C2)nc1C(C)(C)O.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide?

The InChIKey is NGEGXDCSZNOTSG-CHBUXHJPSA-M. The full InChI is InChI=1S/C24H28N4O2S.C23H24N4O3S.C12H18N2O2S.CH3.BrH.Mg/c1-15-10-11-17(22-27-20(16(2)31-22)24(3,4)30)14-28(15)23(29)19-9-6-5-8-18(19)21-25-12-7-13-26-21;1-14-9-10-16(21-26-19(15(2)31-21)23(29)30-3)13-27(14)22(28)18-8-5-4-7-17(18)20-24-11-6-12-25-20;1-7-4-5-9(6-13-7)11-14-10(8(2)17-11)12(15)16-3;;;/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3;4-8,11-12,14,16H,9-10,13H2,1-3H3;7,9,13H,4-6H2,1-3H3;1H3;1H;/q;;;-1;;+2/p-1/t15-,17-;14-,16-;7-,9-;;;/m111.../s1.

What are the key properties of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide?

magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide has a molecular weight of 1246.72 g/mol, XLogP of 7.81, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide is sourced from PubChem (CID 159486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).