4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole

C21H21F2N3O3S2 — CID 31112463

IUPAC4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)cs2)cc1
InChIInChI=1S/C21H21F2N3O3S2/c1-29-19-4-2-15(3-5-19)21-24-18(14-30-21)13-25-6-8-26(9-7-25)31(27,28)20-11-16(22)10-17(23)12-20/h2-5,10-12,14H,6-9,13H2,1H3
InChIKeyZAMUJHZAJMAKCU-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.60
Rot. Bonds6

About 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole

4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 31112463) has the molecular formula C21H21F2N3O3S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
PubChem CID31112463
Molecular FormulaC21H21F2N3O3S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC Name4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)cs2)cc1
InChIInChI=1S/C21H21F2N3O3S2/c1-29-19-4-2-15(3-5-19)21-24-18(14-30-21)13-25-6-8-26(9-7-25)31(27,28)20-11-16(22)10-17(23)12-20/h2-5,10-12,14H,6-9,13H2,1H3
InChIKeyZAMUJHZAJMAKCU-UHFFFAOYSA-N
XLogP3.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole with MolForge

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Related Compounds

2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 26574708
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39721537
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 36925899
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 30474573
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole (CID 31112463) is 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)cs2)cc1.
What is the InChIKey of 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is ZAMUJHZAJMAKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S2/c1-29-19-4-2-15(3-5-19)21-24-18(14-30-21)13-25-6-8-26(9-7-25)31(27,28)20-11-16(22)10-17(23)12-20/h2-5,10-12,14H,6-9,13H2,1H3.
What are the key properties of 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 465.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 31112463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).