1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C124H151Cl2F5N26O7S7 — CID 158918815

About 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 158918815) has the molecular formula C124H151Cl2F5N26O7S7 and a molecular weight of 2508.11 g/mol. Its IUPAC name is 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 158918815
• Molecular Formula: C124H151Cl2F5N26O7S7
• Molecular Weight: 2508.11 g/mol
• Exact Mass: 2504.96
• IUPAC Name: 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)N1CCN(c2nc(-c3ccc(Cl)nc3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3ccc(F)nc3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3ccccc3F)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3cccnc3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3ccnc(Cl)c3)cs2)CC1.[C-]#[N+]c1ccccc1-c1csc(N2CCN(C(=O)C(C)(C)C)CC2)n1
• InChI: InChI=1S/C19H22F3N3OS.C19H22N4OS.C18H22FN3OS.2C17H21ClN4OS.C17H21FN4OS.C17H22N4OS/c1-18(2,3)16(26)24-7-9-25(10-8-24)17-23-15(12-27-17)13-5-4-6-14(11-13)19(20,21)22;1-19(2,3)17(24)22-9-11-23(12-10-22)18-21-16(13-25-18)14-7-5-6-8-15(14)20-4;1-18(2,3)16(23)21-8-10-22(11-9-21)17-20-15(12-24-17)13-6-4-5-7-14(13)19;1-17(2,3)15(23)21-6-8-22(9-7-21)16-20-13(11-24-16)12-4-5-19-14(18)10-12;2*1-17(2,3)15(23)21-6-8-22(9-7-21)16-20-13(11-24-16)12-4-5-14(18)19-10-12;1-17(2,3)15(22)20-7-9-21(10-8-20)16-19-14(12-23-16)13-5-4-6-18-11-13/h4-6,11-12H,7-10H2,1-3H3;5-8,13H,9-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3*4-5,10-11H,6-9H2,1-3H3;4-6,11-12H,7-10H2,1-3H3
• InChIKey: JHOPGQHEOZHWER-UHFFFAOYSA-N
• XLogP: 25.27
• TPSA: 311.00 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2508.11
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 158918815) is 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2nc(-c3ccc(Cl)nc3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3ccc(F)nc3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3ccccc3F)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3cccnc3)cs2)CC1.CC(C)(C)C(=O)N1CCN(c2nc(-c3ccnc(Cl)c3)cs2)CC1.[C-]#[N+]c1ccccc1-c1csc(N2CCN(C(=O)C(C)(C)C)CC2)n1.

What is the InChIKey of 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is JHOPGQHEOZHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS.C19H22N4OS.C18H22FN3OS.2C17H21ClN4OS.C17H21FN4OS.C17H22N4OS/c1-18(2,3)16(26)24-7-9-25(10-8-24)17-23-15(12-27-17)13-5-4-6-14(11-13)19(20,21)22;1-19(2,3)17(24)22-9-11-23(12-10-22)18-21-16(13-25-18)14-7-5-6-8-15(14)20-4;1-18(2,3)16(23)21-8-10-22(11-9-21)17-20-15(12-24-17)13-6-4-5-7-14(13)19;1-17(2,3)15(23)21-6-8-22(9-7-21)16-20-13(11-24-16)12-4-5-19-14(18)10-12;2*1-17(2,3)15(23)21-6-8-22(9-7-21)16-20-13(11-24-16)12-4-5-14(18)19-10-12;1-17(2,3)15(22)20-7-9-21(10-8-20)16-19-14(12-23-16)13-5-4-6-18-11-13/h4-6,11-12H,7-10H2,1-3H3;5-8,13H,9-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;3*4-5,10-11H,6-9H2,1-3H3;4-6,11-12H,7-10H2,1-3H3.

What are the key properties of 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?

1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2508.11 g/mol, XLogP of 25.27, 14 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-chloro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one;1-[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[4-(2-isocyanophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158918815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).