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

C47H56N6O9S4 — CID 161450429

IUPAC2-[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
SMILESCCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)n2)cc1.CCOc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)n2)cc1
InChIInChI=1S/C24H29N3O4S2.C23H27N3O5S2/c1-4-5-18-6-8-19(9-7-18)21-17-32-24(25-21)26-12-14-27(15-13-26)33(28,29)23-11-10-20(30-2)16-22(23)31-3;1-4-31-18-7-5-17(6-8-18)20-16-32-23(24-20)25-11-13-26(14-12-25)33(27,28)22-10-9-19(29-2)15-21(22)30-3/h6-11,16-17H,4-5,12-15H2,1-3H3;5-10,15-16H,4,11-14H2,1-3H3
InChIKeyWALOSOUIOOOBMD-UHFFFAOYSA-N
MW977.27 g/mol
LogP8.03
Rot. Bonds16

About 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

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 (PubChem CID 161450429) has the molecular formula C47H56N6O9S4 and a molecular weight of 977.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161450429
Molecular FormulaC47H56N6O9S4
Molecular Weight977.27 g/mol
Exact Mass976.30
IUPAC Name2-[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
SMILESCCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)n2)cc1.CCOc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)n2)cc1
InChIInChI=1S/C24H29N3O4S2.C23H27N3O5S2/c1-4-5-18-6-8-19(9-7-18)21-17-32-24(25-21)26-12-14-27(15-13-26)33(28,29)23-11-10-20(30-2)16-22(23)31-3;1-4-31-18-7-5-17(6-8-18)20-16-32-23(24-20)25-11-13-26(14-12-25)33(27,28)22-10-9-19(29-2)15-21(22)30-3/h6-11,16-17H,4-5,12-15H2,1-3H3;5-10,15-16H,4,11-14H2,1-3H3
InChIKeyWALOSOUIOOOBMD-UHFFFAOYSA-N
XLogP8.03
TPSA153.17 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.27
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-pyridin-4-yl-1,3-thiazole
CID 25191882
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-(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
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-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
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
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
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-bromophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551439
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)n2)cc1.CCOc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC)cc4OC)CC3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WALOSOUIOOOBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2.C23H27N3O5S2/c1-4-5-18-6-8-19(9-7-18)21-17-32-24(25-21)26-12-14-27(15-13-26)33(28,29)23-11-10-20(30-2)16-22(23)31-3;1-4-31-18-7-5-17(6-8-18)20-16-32-23(24-20)25-11-13-26(14-12-25)33(27,28)22-10-9-19(29-2)15-21(22)30-3/h6-11,16-17H,4-5,12-15H2,1-3H3;5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 977.27 g/mol, XLogP of 8.03, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161450429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).