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

C51H64N6O4S4 — CID 87552161

IUPAC2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1
InChIInChI=1S/C26H33N3O2S2.C25H31N3O2S2/c1-5-6-20-7-9-21(10-8-20)24-19-32-25(27-24)28-15-17-29(18-16-28)33(30,31)23-13-11-22(12-14-23)26(2,3)4;1-18-7-6-8-19(2)23(18)22-17-31-24(26-22)27-13-15-28(16-14-27)32(29,30)21-11-9-20(10-12-21)25(3,4)5/h7-14,19H,5-6,15-18H2,1-4H3;6-12,17H,13-16H2,1-5H3
InChIKeyQWIDWWQJPWWEHB-UHFFFAOYSA-N
MW953.38 g/mol
LogP10.81
Rot. Bonds10

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

2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole (PubChem CID 87552161) has the molecular formula C51H64N6O4S4 and a molecular weight of 953.38 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
PubChem CID87552161
Molecular FormulaC51H64N6O4S4
Molecular Weight953.38 g/mol
Exact Mass952.39
IUPAC Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1
InChIInChI=1S/C26H33N3O2S2.C25H31N3O2S2/c1-5-6-20-7-9-21(10-8-20)24-19-32-25(27-24)28-15-17-29(18-16-28)33(30,31)23-13-11-22(12-14-23)26(2,3)4;1-18-7-6-8-19(2)23(18)22-17-31-24(26-22)27-13-15-28(16-14-27)32(29,30)21-11-9-20(10-12-21)25(3,4)5/h7-14,19H,5-6,15-18H2,1-4H3;6-12,17H,13-16H2,1-5H3
InChIKeyQWIDWWQJPWWEHB-UHFFFAOYSA-N
XLogP10.81
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.38
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole with MolForge

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Related Compounds

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
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-ethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
CID 161450429
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1447329
4-(2,3-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87551931
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole
CID 157259896
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole
CID 157152926
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 157388900
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole (CID 87552161) is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole is CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?
The InChIKey is QWIDWWQJPWWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2S2.C25H31N3O2S2/c1-5-6-20-7-9-21(10-8-20)24-19-32-25(27-24)28-15-17-29(18-16-28)33(30,31)23-13-11-22(12-14-23)26(2,3)4;1-18-7-6-8-19(2)23(18)22-17-31-24(26-22)27-13-15-28(16-14-27)32(29,30)21-11-9-20(10-12-21)25(3,4)5/h7-14,19H,5-6,15-18H2,1-4H3;6-12,17H,13-16H2,1-5H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole?
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole has a molecular weight of 953.38 g/mol, XLogP of 10.81, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole;2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole is sourced from PubChem (CID 87552161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).