2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole

C40H40Br2N6O5S4 — CID 161160175

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C20H20BrN3O3S2.C20H20BrN3O2S2/c1-27-19-5-3-2-4-17(19)18-14-28-20(22-18)23-10-12-24(13-11-23)29(25,26)16-8-6-15(21)7-9-16;1-15-4-2-3-5-18(15)19-14-27-20(22-19)23-10-12-24(13-11-23)28(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3;2-9,14H,10-13H2,1H3
InChIKeyUPUXOEQSUNVGOT-UHFFFAOYSA-N
MW972.87 g/mol
LogP8.48
Rot. Bonds9

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole (PubChem CID 161160175) has the molecular formula C40H40Br2N6O5S4 and a molecular weight of 972.87 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
PubChem CID161160175
Molecular FormulaC40H40Br2N6O5S4
Molecular Weight972.87 g/mol
Exact Mass970.03
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C20H20BrN3O3S2.C20H20BrN3O2S2/c1-27-19-5-3-2-4-17(19)18-14-28-20(22-18)23-10-12-24(13-11-23)29(25,26)16-8-6-15(21)7-9-16;1-15-4-2-3-5-18(15)19-14-27-20(22-19)23-10-12-24(13-11-23)28(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3;2-9,14H,10-13H2,1H3
InChIKeyUPUXOEQSUNVGOT-UHFFFAOYSA-N
XLogP8.48
TPSA116.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.87
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole (CID 161160175) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole is COc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1.Cc1ccccc1-c1csc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole?
The InChIKey is UPUXOEQSUNVGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S2.C20H20BrN3O2S2/c1-27-19-5-3-2-4-17(19)18-14-28-20(22-18)23-10-12-24(13-11-23)29(25,26)16-8-6-15(21)7-9-16;1-15-4-2-3-5-18(15)19-14-27-20(22-19)23-10-12-24(13-11-23)28(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3;2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole has a molecular weight of 972.87 g/mol, XLogP of 8.48, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 161160175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).