2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole

C50H60Cl2N6O6S4 — CID 161491980

IUPAC2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)c(Cl)c4)cs3)CC2)cc1.COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc(OC)c1
InChIInChI=1S/C26H33N3O4S2.C24H27Cl2N3O2S2/c1-26(2,3)20-6-8-24(9-7-20)35(30,31)29-12-10-28(11-13-29)25-27-21(18-34-25)14-19-15-22(32-4)17-23(16-19)33-5;1-24(2,3)18-5-7-20(8-6-18)33(30,31)29-12-10-28(11-13-29)23-27-19(16-32-23)14-17-4-9-21(25)22(26)15-17/h6-9,15-18H,10-14H2,1-5H3;4-9,15-16H,10-14H2,1-3H3
InChIKeyWFSPNTIHZLJXTL-UHFFFAOYSA-N
MW1040.24 g/mol
LogP10.41
Rot. Bonds12

About 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole

2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole (PubChem CID 161491980) has the molecular formula C50H60Cl2N6O6S4 and a molecular weight of 1040.24 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole
PubChem CID161491980
Molecular FormulaC50H60Cl2N6O6S4
Molecular Weight1040.24 g/mol
Exact Mass1038.28
IUPAC Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)c(Cl)c4)cs3)CC2)cc1.COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc(OC)c1
InChIInChI=1S/C26H33N3O4S2.C24H27Cl2N3O2S2/c1-26(2,3)20-6-8-24(9-7-20)35(30,31)29-12-10-28(11-13-29)25-27-21(18-34-25)14-19-15-22(32-4)17-23(16-19)33-5;1-24(2,3)18-5-7-20(8-6-18)33(30,31)29-12-10-28(11-13-29)23-27-19(16-32-23)14-17-4-9-21(25)22(26)15-17/h6-9,15-18H,10-14H2,1-5H3;4-9,15-16H,10-14H2,1-3H3
InChIKeyWFSPNTIHZLJXTL-UHFFFAOYSA-N
XLogP10.41
TPSA125.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.24
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole with MolForge

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Related Compounds

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-[(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
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
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-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
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-[(3-methoxyphenyl)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465321
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-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
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
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-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(3-chloro-5-fluorophenyl)methyl]-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 158803514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole (CID 161491980) is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)c(Cl)c4)cs3)CC2)cc1.COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc(OC)c1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole?
The InChIKey is WFSPNTIHZLJXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S2.C24H27Cl2N3O2S2/c1-26(2,3)20-6-8-24(9-7-20)35(30,31)29-12-10-28(11-13-29)25-27-21(18-34-25)14-19-15-22(32-4)17-23(16-19)33-5;1-24(2,3)18-5-7-20(8-6-18)33(30,31)29-12-10-28(11-13-29)23-27-19(16-32-23)14-17-4-9-21(25)22(26)15-17/h6-9,15-18H,10-14H2,1-5H3;4-9,15-16H,10-14H2,1-3H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole?
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole has a molecular weight of 1040.24 g/mol, XLogP of 10.41, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 161491980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).