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

C17H23N3O2S2 — CID 31418875

IUPAC2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1
InChIInChI=1S/C17H23N3O2S2/c1-3-17-18-15(13-23-17)12-19-8-10-20(11-9-19)24(21,22)16-6-4-14(2)5-7-16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyLEOQWKLUMPWSAD-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.52
Rot. Bonds5

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

2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 31418875) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID31418875
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1
InChIInChI=1S/C17H23N3O2S2/c1-3-17-18-15(13-23-17)12-19-8-10-20(11-9-19)24(21,22)16-6-4-14(2)5-7-16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyLEOQWKLUMPWSAD-UHFFFAOYSA-N
XLogP2.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 55542243
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272924
2-methyl-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31841346
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
4-tert-butyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 30463429
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
N,N-diethyl-4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitrobenzenesulfonamide
CID 55531079
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
2-(4-chlorophenyl)-4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 27182199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole (CID 31418875) is 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is CCc1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1.
What is the InChIKey of 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is LEOQWKLUMPWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-3-17-18-15(13-23-17)12-19-8-10-20(11-9-19)24(21,22)16-6-4-14(2)5-7-16/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 365.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 31418875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).