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

C22H25N3O3S2 — CID 22200434

IUPAC4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-17-5-3-4-6-21(17)22-23-18(16-29-22)15-24-11-13-25(14-12-24)30(26,27)20-9-7-19(28-2)8-10-20/h3-10,16H,11-15H2,1-2H3
InChIKeyWEEICGYMRUJKCZ-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.63
Rot. Bonds6

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

4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole (PubChem CID 22200434) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
PubChem CID22200434
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-17-5-3-4-6-21(17)22-23-18(16-29-22)15-24-11-13-25(14-12-24)30(26,27)20-9-7-19(28-2)8-10-20/h3-10,16H,11-15H2,1-2H3
InChIKeyWEEICGYMRUJKCZ-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

2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31112463
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
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22194703
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole (CID 22200434) is 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole is COc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The InChIKey is WEEICGYMRUJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-17-5-3-4-6-21(17)22-23-18(16-29-22)15-24-11-13-25(14-12-24)30(26,27)20-9-7-19(28-2)8-10-20/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-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 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22200434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).