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

C22H25N3O3S2 — CID 26575815

IUPAC2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-17-3-9-21(10-4-17)30(26,27)25-13-11-24(12-14-25)15-19-16-29-22(23-19)18-5-7-20(28-2)8-6-18/h3-10,16H,11-15H2,1-2H3
InChIKeyAACIBDJUSCCOOE-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.63
Rot. Bonds6

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

2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 26575815) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID26575815
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-17-3-9-21(10-4-17)30(26,27)25-13-11-24(12-14-25)15-19-16-29-22(23-19)18-5-7-20(28-2)8-6-18/h3-10,16H,11-15H2,1-2H3
InChIKeyAACIBDJUSCCOOE-UHFFFAOYSA-N
XLogP3.63
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31112463
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39721537
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 26574708
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 26575815) is 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AACIBDJUSCCOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-17-3-9-21(10-4-17)30(26,27)25-13-11-24(12-14-25)15-19-16-29-22(23-19)18-5-7-20(28-2)8-6-18/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 443.59 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 26575815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).