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

C40H40Br2N6O5S4 — CID 157388900

IUPAC2-[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
SMILESCOc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc1.Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc1
InChIInChI=1S/C20H20BrN3O3S2.C20H20BrN3O2S2/c1-27-17-7-5-15(6-8-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-4-2-3-16(21)13-18;1-15-5-7-16(8-6-15)19-14-27-20(22-19)23-9-11-24(12-10-23)28(25,26)18-4-2-3-17(21)13-18/h2-8,13-14H,9-12H2,1H3;2-8,13-14H,9-12H2,1H3
InChIKeyBLTLRVNFMHTVRG-UHFFFAOYSA-N
MW972.87 g/mol
LogP8.48
Rot. Bonds9

About 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

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 (PubChem CID 157388900) has the molecular formula C40H40Br2N6O5S4 and a molecular weight of 972.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157388900
Molecular FormulaC40H40Br2N6O5S4
Molecular Weight972.87 g/mol
Exact Mass970.03
IUPAC Name2-[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
SMILESCOc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc1.Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc1
InChIInChI=1S/C20H20BrN3O3S2.C20H20BrN3O2S2/c1-27-17-7-5-15(6-8-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-4-2-3-16(21)13-18;1-15-5-7-16(8-6-15)19-14-27-20(22-19)23-9-11-24(12-10-23)28(25,26)18-4-2-3-17(21)13-18/h2-8,13-14H,9-12H2,1H3;2-8,13-14H,9-12H2,1H3
InChIKeyBLTLRVNFMHTVRG-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-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole with MolForge

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Related Compounds

4-(3-bromophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 159329286
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-chloro-3-fluorophenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 159606515
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-(3-bromophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551439
4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 160977428
6-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 17139157
4-(3-bromophenyl)-2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 87551893
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
4-(3-methoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-(3-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 162011689
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 15943388
2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole;2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
CID 68729592

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc1.Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is BLTLRVNFMHTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S2.C20H20BrN3O2S2/c1-27-17-7-5-15(6-8-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-4-2-3-16(21)13-18;1-15-5-7-16(8-6-15)19-14-27-20(22-19)23-9-11-24(12-10-23)28(25,26)18-4-2-3-17(21)13-18/h2-8,13-14H,9-12H2,1H3;2-8,13-14H,9-12H2,1H3.
What are the key properties of 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?
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 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-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 157388900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).