4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole

C24H27BrN2O2S2 — CID 87467015

IUPAC4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)C2CCN(c3nc(-c4cccc(Br)c4)cs3)CC2)c1C
InChIInChI=1S/C24H27BrN2O2S2/c1-15-12-16(2)18(4)23(17(15)3)31(28,29)21-8-10-27(11-9-21)24-26-22(14-30-24)19-6-5-7-20(25)13-19/h5-7,12-14,21H,8-11H2,1-4H3
InChIKeyORHOTLNUECGYSH-UHFFFAOYSA-N
MW519.53 g/mol
LogP6.25
Rot. Bonds4

About 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole

4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole (PubChem CID 87467015) has the molecular formula C24H27BrN2O2S2 and a molecular weight of 519.53 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
PubChem CID87467015
Molecular FormulaC24H27BrN2O2S2
Molecular Weight519.53 g/mol
Exact Mass518.07
IUPAC Name4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
SMILESCc1cc(C)c(C)c(S(=O)(=O)C2CCN(c3nc(-c4cccc(Br)c4)cs3)CC2)c1C
InChIInChI=1S/C24H27BrN2O2S2/c1-15-12-16(2)18(4)23(17(15)3)31(28,29)21-8-10-27(11-9-21)24-26-22(14-30-24)19-6-5-7-20(25)13-19/h5-7,12-14,21H,8-11H2,1-4H3
InChIKeyORHOTLNUECGYSH-UHFFFAOYSA-N
XLogP6.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromophenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466707
4-(3-bromophenyl)-2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466682
4-benzyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87463867
4-(2,4-dimethoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87465595
4-(3,4-dimethoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87463917
2-[4-(2,5-dibromo-3,6-difluorophenyl)sulfonylpiperidin-1-yl]-4-(3,4-difluorophenyl)-1,3-thiazole
CID 87466732
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
4-(3,5-dimethoxyphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87464233
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-(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
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716177
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole (CID 87467015) is 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole is Cc1cc(C)c(C)c(S(=O)(=O)C2CCN(c3nc(-c4cccc(Br)c4)cs3)CC2)c1C.
What is the InChIKey of 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
The InChIKey is ORHOTLNUECGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2S2/c1-15-12-16(2)18(4)23(17(15)3)31(28,29)21-8-10-27(11-9-21)24-26-22(14-30-24)19-6-5-7-20(25)13-19/h5-7,12-14,21H,8-11H2,1-4H3.
What are the key properties of 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole?
4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole has a molecular weight of 519.53 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 87467015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).