4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide

C120H153BrCl4N28O18S4Si2 — CID 157415216

About 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide

4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 157415216) has the molecular formula C120H153BrCl4N28O18S4Si2 and a molecular weight of 2681.88 g/mol. Its IUPAC name is 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 157415216
• Molecular Formula: C120H153BrCl4N28O18S4Si2
• Molecular Weight: 2681.88 g/mol
• Exact Mass: 2676.83
• IUPAC Name: 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)N(Cc3oc(=O)oc3C)c3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)N(Cc3oc(=O)oc3C)c3c(C)cccc3Cl)s2)cc(N2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C(C)(C)C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)n1.Cc1oc(=O)oc1CBr
• InChI: InChI=1S/C33H44ClN7O5SSi.C28H40ClN7O2SSi.C27H30ClN7O5S.C27H34ClN7O3S.C5H5BrO3/c1-21-10-9-11-24(34)29(21)41(20-25-22(2)45-32(43)46-25)30(42)26-19-35-31(47-26)38-27-18-28(37-23(3)36-27)40-14-12-39(13-15-40)16-17-44-48(7,8)33(4,5)6;1-19-9-8-10-21(29)25(19)34-26(37)22-18-30-27(39-22)33-23-17-24(32-20(2)31-23)36-13-11-35(12-14-36)15-16-38-40(6,7)28(3,4)5;1-16-5-4-6-19(28)24(16)35(15-20-17(2)39-27(38)40-20)25(37)21-14-29-26(41-21)32-22-13-23(31-18(3)30-22)34-9-7-33(8-10-34)11-12-36;1-17-7-6-8-19(28)23(17)33-24(36)20-16-29-26(39-20)32-21-15-22(31-18(2)30-21)35-11-9-34(10-12-35)13-14-38-25(37)27(3,4)5;1-3-4(2-6)9-5(7)8-3/h9-11,18-19H,12-17,20H2,1-8H3,(H,35,36,37,38);8-10,17-18H,11-16H2,1-7H3,(H,34,37)(H,30,31,32,33);4-6,13-14,36H,7-12,15H2,1-3H3,(H,29,30,31,32);6-8,15-16H,9-14H2,1-5H3,(H,33,36)(H,29,30,31,32);2H2,1H3
• InChIKey: BOTLUUORQFPQMI-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 522.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 38
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2681.88
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 157415216) is 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)N(Cc3oc(=O)oc3C)c3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)N(Cc3oc(=O)oc3C)c3c(C)cccc3Cl)s2)cc(N2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C(C)(C)C)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)n1.Cc1oc(=O)oc1CBr.

What is the InChIKey of 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is BOTLUUORQFPQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44ClN7O5SSi.C28H40ClN7O2SSi.C27H30ClN7O5S.C27H34ClN7O3S.C5H5BrO3/c1-21-10-9-11-24(34)29(21)41(20-25-22(2)45-32(43)46-25)30(42)26-19-35-31(47-26)38-27-18-28(37-23(3)36-27)40-14-12-39(13-15-40)16-17-44-48(7,8)33(4,5)6;1-19-9-8-10-21(29)25(19)34-26(37)22-18-30-27(39-22)33-23-17-24(32-20(2)31-23)36-13-11-35(12-14-36)15-16-38-40(6,7)28(3,4)5;1-16-5-4-6-19(28)24(16)35(15-20-17(2)39-27(38)40-20)25(37)21-14-29-26(41-21)32-22-13-23(31-18(3)30-22)34-9-7-33(8-10-34)11-12-36;1-17-7-6-8-19(28)23(17)33-24(36)20-16-29-26(39-20)32-21-15-22(31-18(2)30-21)35-11-9-34(10-12-35)13-14-38-25(37)27(3,4)5;1-3-4(2-6)9-5(7)8-3/h9-11,18-19H,12-17,20H2,1-8H3,(H,35,36,37,38);8-10,17-18H,11-16H2,1-7H3,(H,34,37)(H,30,31,32,33);4-6,13-14,36H,7-12,15H2,1-3H3,(H,29,30,31,32);6-8,15-16H,9-14H2,1-5H3,(H,33,36)(H,29,30,31,32);2H2,1H3.

What are the key properties of 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide?

4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 2681.88 g/mol, XLogP of 23.24, 38 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(bromomethyl)-5-methyl-1,3-dioxol-2-one;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide;2-[[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157415216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).