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

C16H21N3O3S2 — CID 39721537

IUPAC2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)cs2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-22-15-5-3-13(4-6-15)16-17-14(12-23-16)11-18-7-9-19(10-8-18)24(2,20)21/h3-6,12H,7-11H2,1-2H3
InChIKeySBIQYFKKQTVELU-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.90
Rot. Bonds5

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

2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 39721537) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID39721537
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)cs2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-22-15-5-3-13(4-6-15)16-17-14(12-23-16)11-18-7-9-19(10-8-18)24(2,20)21/h3-6,12H,7-11H2,1-2H3
InChIKeySBIQYFKKQTVELU-UHFFFAOYSA-N
XLogP1.90
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.90
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-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]benzoic acid
CID 136550112
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 24623494
4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 86873877
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
4,5-dichloro-2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
CID 24623502

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 39721537) is 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is COc1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is SBIQYFKKQTVELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-22-15-5-3-13(4-6-15)16-17-14(12-23-16)11-18-7-9-19(10-8-18)24(2,20)21/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 367.50 g/mol, XLogP of 1.90, 5 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-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 39721537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).