2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole

C41H42BrCl2N7O4S4 — CID 87572094

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c(C)c1.O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C23H25Cl2N3O2S2.C18H17BrN4O2S2/c1-14-9-16(3)22(17(4)10-14)20-13-31-23(26-20)27-5-7-28(8-6-27)32(29,30)21-11-15(2)18(24)12-19(21)25;19-14-4-6-15(7-5-14)27(24,25)23-11-9-22(10-12-23)18-21-17(13-26-18)16-3-1-2-8-20-16/h9-13H,5-8H2,1-4H3;1-8,13H,9-12H2
InChIKeyQVPOGPXGRULOOC-UHFFFAOYSA-N
MW975.91 g/mol
LogP9.34
Rot. Bonds8

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole (PubChem CID 87572094) has the molecular formula C41H42BrCl2N7O4S4 and a molecular weight of 975.91 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
PubChem CID87572094
Molecular FormulaC41H42BrCl2N7O4S4
Molecular Weight975.91 g/mol
Exact Mass973.07
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c(C)c1.O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C23H25Cl2N3O2S2.C18H17BrN4O2S2/c1-14-9-16(3)22(17(4)10-14)20-13-31-23(26-20)27-5-7-28(8-6-27)32(29,30)21-11-15(2)18(24)12-19(21)25;19-14-4-6-15(7-5-14)27(24,25)23-11-9-22(10-12-23)18-21-17(13-26-18)16-3-1-2-8-20-16/h9-13H,5-8H2,1-4H3;1-8,13H,9-12H2
InChIKeyQVPOGPXGRULOOC-UHFFFAOYSA-N
XLogP9.34
TPSA119.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.91
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole with MolForge

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Related Compounds

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
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methoxyphenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole
CID 87551975
2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 87465276
2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 157328422
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole
CID 158267461
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31014988
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[1-(4-nitrophenyl)ethyl]-1,3-thiazole
CID 87551035
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,4-difluorophenyl)-1,3-thiazole;2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-difluorophenyl)-1,3-thiazole
CID 87552328
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole (CID 87572094) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole is Cc1cc(C)c(-c2csc(N3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)n2)c(C)c1.O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?
The InChIKey is QVPOGPXGRULOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2S2.C18H17BrN4O2S2/c1-14-9-16(3)22(17(4)10-14)20-13-31-23(26-20)27-5-7-28(8-6-27)32(29,30)21-11-15(2)18(24)12-19(21)25;19-14-4-6-15(7-5-14)27(24,25)23-11-9-22(10-12-23)18-21-17(13-26-18)16-3-1-2-8-20-16/h9-13H,5-8H2,1-4H3;1-8,13H,9-12H2.
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole has a molecular weight of 975.91 g/mol, XLogP of 9.34, 8 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-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 87572094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).