1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine

C119H141Br2Cl3F8N20O14S5 — CID 162228190

About 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine

1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine (PubChem CID 162228190) has the molecular formula C119H141Br2Cl3F8N20O14S5 and a molecular weight of 2654.05 g/mol. Its IUPAC name is 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• PubChem CID: 162228190
• Molecular Formula: C119H141Br2Cl3F8N20O14S5
• Molecular Weight: 2654.05 g/mol
• Exact Mass: 2648.68
• IUPAC Name: 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• SMILES: CC1(C)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.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(Cc2cccc(Cl)c2F)C(C)(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.Fc1c(Cl)cccc1CBr.Nc1nccs1
• InChI: InChI=1S/C25H27ClF2N4O2S.C24H25ClF2N4O2S.C23H31FN4O4S.C20H28BrFN2O4.C17H21FN4O2S.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;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;1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16;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);7-8,10,12H,9,11,13-14H2,1-6H3,(H,25,26,27);7-8H,9-12H2,1-6H3;3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22);1-3H,4H2;1-2H,(H2,4,5)
• InChIKey: ZVAVTTDBQSMCCD-UHFFFAOYSA-N
• XLogP: 28.31
• TPSA: 423.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2654.05
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

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-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The IUPAC name of 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine (CID 162228190) is 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

What is the SMILES notation for 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The canonical SMILES for 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine is CC1(C)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.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(Cc2cccc(Cl)c2F)C(C)(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCNC(C)C1.Fc1c(Cl)cccc1CBr.Nc1nccs1.

What is the InChIKey of 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The InChIKey is ZVAVTTDBQSMCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N4O2S.C24H25ClF2N4O2S.C23H31FN4O4S.C20H28BrFN2O4.C17H21FN4O2S.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;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;1-11-9-17(5-6-19-11,15(23)24-2)10-13-12(18)3-4-14(21-13)22-16-20-7-8-25-16;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);7-8,10,12H,9,11,13-14H2,1-6H3,(H,25,26,27);7-8H,9-12H2,1-6H3;3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,20,21,22);1-3H,4H2;1-2H,(H2,4,5).

What are the key properties of 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine has a molecular weight of 2654.05 g/mol, XLogP of 28.31, 28 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-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;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)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine is sourced from PubChem (CID 162228190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).