1-(bromomethyl)-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine

C120H143Br2Cl3F8N20O14S5 — CID 157484353

About 1-(bromomethyl)-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine (PubChem CID 157484353) has the molecular formula C120H143Br2Cl3F8N20O14S5 and a molecular weight of 2668.08 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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine
• PubChem CID: 157484353
• Molecular Formula: C120H143Br2Cl3F8N20O14S5
• Molecular Weight: 2668.08 g/mol
• Exact Mass: 2662.70
• IUPAC Name: 1-(bromomethyl)-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine
• SMILES: COC(=O)C1(Cc2nc(Br)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2nc(Nc3nc(C)cs3)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2nc(Nc3nc(C)cs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nc(C)cs3)ccc2F)CCNC(C)C1.Cc1csc(N)n1.Cc1csc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)n1.Fc1c(Cl)cccc1CBr
• InChI: InChI=1S/C25H27ClF2N4O2S.C24H25ClF2N4O2S.C23H31FN4O4S.C19H26BrFN2O4.C18H23FN4O2S.C7H5BrClF.C4H6N2S/c1-15-14-35-24(29-15)31-21-8-7-19(27)20(30-21)12-25(23(33)34-3)9-10-32(16(2)11-25)13-17-5-4-6-18(26)22(17)28;1-14-13-34-23(28-14)30-20-7-6-18(26)19(29-20)11-24(22(32)33)8-9-31(15(2)10-24)12-16-4-3-5-17(25)21(16)27;1-14-13-33-20(25-14)27-18-8-7-16(24)17(26-18)12-23(19(29)31-6)9-10-28(15(2)11-23)21(30)32-22(3,4)5;1-12-10-19(16(24)26-5,11-14-13(21)6-7-15(20)22-14)8-9-23(12)17(25)27-18(2,3)4;1-11-8-18(6-7-20-11,16(24)25-3)9-14-13(19)4-5-15(22-14)23-17-21-12(2)10-26-17;8-4-5-2-1-3-6(9)7(5)10;1-3-2-7-4(5)6-3/h4-8,14,16H,9-13H2,1-3H3,(H,29,30,31);3-7,13,15H,8-12H2,1-2H3,(H,32,33)(H,28,29,30);7-8,13,15H,9-12H2,1-6H3,(H,25,26,27);6-7,12H,8-11H2,1-5H3;4-5,10-11,20H,6-9H2,1-3H3,(H,21,22,23);1-3H,4H2;2H,1H3,(H2,5,6)
• InChIKey: BWNLHWZEVAYUGP-UHFFFAOYSA-N
• XLogP: 28.29
• TPSA: 423.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2668.08
LogP ≤ 5	28.29
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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine (CID 157484353) is 1-(bromomethyl)-3-chloro-2-fluorobenzene;1-O-tert-butyl 4-O-methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine is COC(=O)C1(Cc2nc(Br)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2nc(Nc3nc(C)cs3)ccc2F)CCN(C(=O)OC(C)(C)C)C(C)C1.COC(=O)C1(Cc2nc(Nc3nc(C)cs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C)C1.COC(=O)C1(Cc2nc(Nc3nc(C)cs3)ccc2F)CCNC(C)C1.Cc1csc(N)n1.Cc1csc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)n1.Fc1c(Cl)cccc1CBr.

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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine?

The InChIKey is BWNLHWZEVAYUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N4O2S.C24H25ClF2N4O2S.C23H31FN4O4S.C19H26BrFN2O4.C18H23FN4O2S.C7H5BrClF.C4H6N2S/c1-15-14-35-24(29-15)31-21-8-7-19(27)20(30-21)12-25(23(33)34-3)9-10-32(16(2)11-25)13-17-5-4-6-18(26)22(17)28;1-14-13-34-23(28-14)30-20-7-6-18(26)19(29-20)11-24(22(32)33)8-9-31(15(2)10-24)12-16-4-3-5-17(25)21(16)27;1-14-13-33-20(25-14)27-18-8-7-16(24)17(26-18)12-23(19(29)31-6)9-10-28(15(2)11-23)21(30)32-22(3,4)5;1-12-10-19(16(24)26-5,11-14-13(21)6-7-15(20)22-14)8-9-23(12)17(25)27-18(2,3)4;1-11-8-18(6-7-20-11,16(24)25-3)9-14-13(19)4-5-15(22-14)23-17-21-12(2)10-26-17;8-4-5-2-1-3-6(9)7(5)10;1-3-2-7-4(5)6-3/h4-8,14,16H,9-13H2,1-3H3,(H,29,30,31);3-7,13,15H,8-12H2,1-2H3,(H,32,33)(H,28,29,30);7-8,13,15H,9-12H2,1-6H3,(H,25,26,27);6-7,12H,8-11H2,1-5H3;4-5,10-11,20H,6-9H2,1-3H3,(H,21,22,23);1-3H,4H2;2H,1H3,(H2,5,6).

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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine has a molecular weight of 2668.08 g/mol, XLogP of 28.29, 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-methylpiperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-1,4-dicarboxylate;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;methyl 4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 157484353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).