2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole

C46H50Cl4N6O7S4 — CID 158339402

IUPAC2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole
SMILESCOc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC.Cc1cc(C)c(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)c(C)c1
InChIInChI=1S/C23H25Cl2N3O5S2.C23H25Cl2N3O2S2/c1-31-19-11-15(12-20(32-2)22(19)33-3)10-17-14-34-23(26-17)27-6-8-28(9-7-27)35(29,30)21-5-4-16(24)13-18(21)25;1-15-10-16(2)20(17(3)11-15)13-19-14-31-23(26-19)27-6-8-28(9-7-27)32(29,30)22-5-4-18(24)12-21(22)25/h4-5,11-14H,6-10H2,1-3H3;4-5,10-12,14H,6-9,13H2,1-3H3
InChIKeyGQYXCNUYJFZOHU-UHFFFAOYSA-N
MW1069.02 g/mol
LogP10.05
Rot. Bonds13

About 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole

2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole (PubChem CID 158339402) has the molecular formula C46H50Cl4N6O7S4 and a molecular weight of 1069.02 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole
PubChem CID158339402
Molecular FormulaC46H50Cl4N6O7S4
Molecular Weight1069.02 g/mol
Exact Mass1066.14
IUPAC Name2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole
SMILESCOc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC.Cc1cc(C)c(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)c(C)c1
InChIInChI=1S/C23H25Cl2N3O5S2.C23H25Cl2N3O2S2/c1-31-19-11-15(12-20(32-2)22(19)33-3)10-17-14-34-23(26-17)27-6-8-28(9-7-27)35(29,30)21-5-4-16(24)13-18(21)25;1-15-10-16(2)20(17(3)11-15)13-19-14-31-23(26-19)27-6-8-28(9-7-27)32(29,30)22-5-4-18(24)12-21(22)25/h4-5,11-14H,6-10H2,1-3H3;4-5,10-12,14H,6-9,13H2,1-3H3
InChIKeyGQYXCNUYJFZOHU-UHFFFAOYSA-N
XLogP10.05
TPSA134.71 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.02
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 157328422
4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
CID 161115019
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 158324939
4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3,5-difluorophenyl)methyl]-2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158506707
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[(3-methylphenyl)methyl]-1,3-thiazole
CID 87552196
4-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 161031178
4-[(2,4-dichlorophenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87464710
2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(2,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 87572885
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 87571753
4-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 157183113
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethoxyphenyl)methyl]-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-ethylphenyl)methyl]-1,3-thiazole
CID 87551181
4-[(2,5-dimethoxyphenyl)methyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87552136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole (CID 158339402) is 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole is COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC.Cc1cc(C)c(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole?
The InChIKey is GQYXCNUYJFZOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O5S2.C23H25Cl2N3O2S2/c1-31-19-11-15(12-20(32-2)22(19)33-3)10-17-14-34-23(26-17)27-6-8-28(9-7-27)35(29,30)21-5-4-16(24)13-18(21)25;1-15-10-16(2)20(17(3)11-15)13-19-14-31-23(26-19)27-6-8-28(9-7-27)32(29,30)22-5-4-18(24)12-21(22)25/h4-5,11-14H,6-10H2,1-3H3;4-5,10-12,14H,6-9,13H2,1-3H3.
What are the key properties of 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole?
2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole has a molecular weight of 1069.02 g/mol, XLogP of 10.05, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 158339402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).