4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole

C43H38F10N6O4S4 — CID 158314963

About 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole

4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole (PubChem CID 158314963) has the molecular formula C43H38F10N6O4S4 and a molecular weight of 1021.06 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
• PubChem CID: 158314963
• Molecular Formula: C43H38F10N6O4S4
• Molecular Weight: 1021.06 g/mol
• Exact Mass: 1020.17
• IUPAC Name: 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
• SMILES: CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)n1
• InChI: InChI=1S/C22H20F5N3O2S2.C21H18F5N3O2S2/c1-2-3-13-4-6-14(7-5-13)15-12-33-22(28-15)29-8-10-30(11-9-29)34(31,32)21-19(26)17(24)16(23)18(25)20(21)27;1-11-4-3-5-12(2)14(11)13-10-32-21(27-13)28-6-8-29(9-7-28)33(30,31)20-18(25)16(23)15(22)17(24)19(20)26/h4-7,12H,2-3,8-11H2,1H3;3-5,10H,6-9H2,1-2H3
• InChIKey: GODOEVZNTUIKSZ-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 107.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.06
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?

The IUPAC name of 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole (CID 158314963) is 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole.

What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?

The canonical SMILES for 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole is CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)n1.

What is the InChIKey of 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?

The InChIKey is GODOEVZNTUIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N3O2S2.C21H18F5N3O2S2/c1-2-3-13-4-6-14(7-5-13)15-12-33-22(28-15)29-8-10-30(11-9-29)34(31,32)21-19(26)17(24)16(23)18(25)20(21)27;1-11-4-3-5-12(2)14(11)13-10-32-21(27-13)28-6-8-29(9-7-28)33(30,31)20-18(25)16(23)15(22)17(24)19(20)26/h4-7,12H,2-3,8-11H2,1H3;3-5,10H,6-9H2,1-2H3.

What are the key properties of 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?

4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole has a molecular weight of 1021.06 g/mol, XLogP of 9.60, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole is sourced from PubChem (CID 158314963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).