6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine

C136H186Br4F9N19O23S4 — CID 167590310

About 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine

6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine (PubChem CID 167590310) has the molecular formula C136H186Br4F9N19O23S4 and a molecular weight of 3073.96 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• PubChem CID: 167590310
• Molecular Formula: C136H186Br4F9N19O23S4
• Molecular Weight: 3073.96 g/mol
• Exact Mass: 3067.94
• IUPAC Name: 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• SMILES: C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCC1CC(C(=O)OC)CCN1.CCC1CC(C(=O)OC)CCN1C(=O)OC(C)(C)C.CCC1CC(Cc2nc(Br)ccc2F)(C(=O)OC)CCN1C(=O)OC(C)(C)C.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CCN1.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CCN1C(=O)OC(C)(C)C.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CCN1Cc1cccc(F)c1F.Fc1ccc(Br)nc1CBr.Fc1cccc(CBr)c1F.Nc1nccs1
• InChI: InChI=1S/C25H27F3N4O2S.C23H31FN4O4S.C20H28BrFN2O4.C18H23FN4O2S.C14H25NO4.C10H18O5.C9H17NO2.C7H5BrF2.C6H4Br2FN.C3H4N2S.CH4/c1-3-17-13-25(23(33)34-2,9-11-32(17)15-16-5-4-6-19(27)22(16)28)14-20-18(26)7-8-21(30-20)31-24-29-10-12-35-24;1-6-15-13-23(19(29)31-5,9-11-28(15)21(30)32-22(2,3)4)14-17-16(24)7-8-18(26-17)27-20-25-10-12-33-20;1-6-13-11-20(17(25)27-5,12-15-14(22)7-8-16(21)23-15)9-10-24(13)18(26)28-19(2,3)4;1-3-12-10-18(6-7-20-12,16(24)25-2)11-14-13(19)4-5-15(22-14)23-17-21-8-9-26-17;1-6-11-9-10(12(16)18-5)7-8-15(11)13(17)19-14(2,3)4;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-3-8-6-7(4-5-10-8)9(11)12-2;8-4-5-2-1-3-6(9)7(5)10;7-3-5-4(9)1-2-6(8)10-5;4-3-5-1-2-6-3;/h4-8,10,12,17H,3,9,11,13-15H2,1-2H3,(H,29,30,31);7-8,10,12,15H,6,9,11,13-14H2,1-5H3,(H,25,26,27);7-8,13H,6,9-12H2,1-5H3;4-5,8-9,12,20H,3,6-7,10-11H2,1-2H3,(H,21,22,23);10-11H,6-9H2,1-5H3;1-6H3;7-8,10H,3-6H2,1-2H3;1-3H,4H2;1-2H,3H2;1-2H,(H2,4,5);1H4
• InChIKey: IIPRJBXILUUPLM-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 513.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3073.96
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

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'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The IUPAC name of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine (CID 167590310) is 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

What is the SMILES notation for 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The canonical SMILES for 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine is C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCC1CC(C(=O)OC)CCN1.CCC1CC(C(=O)OC)CCN1C(=O)OC(C)(C)C.CCC1CC(Cc2nc(Br)ccc2F)(C(=O)OC)CCN1C(=O)OC(C)(C)C.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CCN1.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CCN1C(=O)OC(C)(C)C.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)OC)CCN1Cc1cccc(F)c1F.Fc1ccc(Br)nc1CBr.Fc1cccc(CBr)c1F.Nc1nccs1.

What is the InChIKey of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The InChIKey is IIPRJBXILUUPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2S.C23H31FN4O4S.C20H28BrFN2O4.C18H23FN4O2S.C14H25NO4.C10H18O5.C9H17NO2.C7H5BrF2.C6H4Br2FN.C3H4N2S.CH4/c1-3-17-13-25(23(33)34-2,9-11-32(17)15-16-5-4-6-19(27)22(16)28)14-20-18(26)7-8-21(30-20)31-24-29-10-12-35-24;1-6-15-13-23(19(29)31-5,9-11-28(15)21(30)32-22(2,3)4)14-17-16(24)7-8-18(26-17)27-20-25-10-12-33-20;1-6-13-11-20(17(25)27-5,12-15-14(22)7-8-16(21)23-15)9-10-24(13)18(26)28-19(2,3)4;1-3-12-10-18(6-7-20-12,16(24)25-2)11-14-13(19)4-5-15(22-14)23-17-21-8-9-26-17;1-6-11-9-10(12(16)18-5)7-8-15(11)13(17)19-14(2,3)4;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-3-8-6-7(4-5-10-8)9(11)12-2;8-4-5-2-1-3-6(9)7(5)10;7-3-5-4(9)1-2-6(8)10-5;4-3-5-1-2-6-3;/h4-8,10,12,17H,3,9,11,13-15H2,1-2H3,(H,29,30,31);7-8,10,12,15H,6,9,11,13-14H2,1-5H3,(H,25,26,27);7-8,13H,6,9-12H2,1-5H3;4-5,8-9,12,20H,3,6-7,10-11H2,1-2H3,(H,21,22,23);10-11H,6-9H2,1-5H3;1-6H3;7-8,10H,3-6H2,1-2H3;1-3H,4H2;1-2H,3H2;1-2H,(H2,4,5);1H4.

What are the key properties of 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine has a molecular weight of 3073.96 g/mol, XLogP of 31.68, 30 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-(bromomethyl)-3-fluoropyridine;1-(bromomethyl)-2,3-difluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-ethylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-ethylpiperidine-1,4-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate;methyl 2-ethylpiperidine-4-carboxylate;1,3-thiazol-2-amine is sourced from PubChem (CID 167590310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).