1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine

C125H151Br2Cl3F8N20O16S5 — CID 160610869

About 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine

1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine (PubChem CID 160610869) has the molecular formula C125H151Br2Cl3F8N20O16S5 and a molecular weight of 2774.23 g/mol. Its IUPAC name is 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• PubChem CID: 160610869
• Molecular Formula: C125H151Br2Cl3F8N20O16S5
• Molecular Weight: 2774.23 g/mol
• Exact Mass: 2768.79
• IUPAC Name: 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• SMILES: COC(=O)C1(Cc2nc(Br)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)(C)C1.Nc1nccs1.[2H]C([2H])(Br)c1cccc(Cl)c1F.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CC1(C)C.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CC1(C)C
• InChI: InChI=1S/C25H27ClF2N4O2S.C24H25ClF2N4O2S.2C23H31FN4O4S.C20H28BrFN2O4.C7H5BrClF.C3H4N2S/c1-24(2)15-25(22(33)34-3,9-11-32(24)14-16-5-4-6-17(26)21(16)28)13-19-18(27)7-8-20(30-19)31-23-29-10-12-35-23;1-23(2)14-24(21(32)33,8-10-31(23)13-15-4-3-5-16(25)20(15)27)12-18-17(26)6-7-19(29-18)30-22-28-9-11-34-22;2*1-21(2,3)32-20(30)28-11-9-23(18(29)31-6,14-22(28,4)5)13-16-15(24)7-8-17(26-16)27-19-25-10-12-33-19;1-18(2,3)28-17(26)24-10-9-20(16(25)27-6,12-19(24,4)5)11-14-13(22)7-8-15(21)23-14;8-4-5-2-1-3-6(9)7(5)10;4-3-5-1-2-6-3/h4-8,10,12H,9,11,13-15H2,1-3H3,(H,29,30,31);3-7,9,11H,8,10,12-14H2,1-2H3,(H,32,33)(H,28,29,30);2*7-8,10,12H,9,11,13-14H2,1-6H3,(H,25,26,27);7-8H,9-12H2,1-6H3;1-3H,4H2;1-2H,(H2,4,5)/i14D2;13D2;;;;4D2
• InChIKey: RFMMQVIJOZGIMZ-JIHZSJEPSA-N
• XLogP: 30.35
• TPSA: 440.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.23
LogP ≤ 5	30.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The IUPAC name of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine (CID 160610869) is 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

What is the SMILES notation for 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The canonical SMILES for 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine is COC(=O)C1(Cc2nc(Br)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)(C)C1.Nc1nccs1.[2H]C([2H])(Br)c1cccc(Cl)c1F.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CC1(C)C.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CC1(C)C.

What is the InChIKey of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The InChIKey is RFMMQVIJOZGIMZ-JIHZSJEPSA-N. The full InChI is InChI=1S/C25H27ClF2N4O2S.C24H25ClF2N4O2S.2C23H31FN4O4S.C20H28BrFN2O4.C7H5BrClF.C3H4N2S/c1-24(2)15-25(22(33)34-3,9-11-32(24)14-16-5-4-6-17(26)21(16)28)13-19-18(27)7-8-20(30-19)31-23-29-10-12-35-23;1-23(2)14-24(21(32)33,8-10-31(23)13-15-4-3-5-16(25)20(15)27)12-18-17(26)6-7-19(29-18)30-22-28-9-11-34-22;2*1-21(2,3)32-20(30)28-11-9-23(18(29)31-6,14-22(28,4)5)13-16-15(24)7-8-17(26-16)27-19-25-10-12-33-19;1-18(2,3)28-17(26)24-10-9-20(16(25)27-6,12-19(24,4)5)11-14-13(22)7-8-15(21)23-14;8-4-5-2-1-3-6(9)7(5)10;4-3-5-1-2-6-3/h4-8,10,12H,9,11,13-15H2,1-3H3,(H,29,30,31);3-7,9,11H,8,10,12-14H2,1-2H3,(H,32,33)(H,28,29,30);2*7-8,10,12H,9,11,13-14H2,1-6H3,(H,25,26,27);7-8H,9-12H2,1-6H3;1-3H,4H2;1-2H,(H2,4,5)/i14D2;13D2;;;;4D2;.

What are the key properties of 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine has a molecular weight of 2774.23 g/mol, XLogP of 30.35, 28 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate;bis(1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-1,4-dicarboxylate);1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;1,3-thiazol-2-amine is sourced from PubChem (CID 160610869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).