2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride

C16H22ClN3S — CID 120769103

IUPAC2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2nccs2)cc1.Cl
InChIInChI=1S/C16H21N3S.ClH/c1-2-13-3-5-14(6-4-13)15-11-17-7-9-19(15)12-16-18-8-10-20-16;/h3-6,8,10,15,17H,2,7,9,11-12H2,1H3;1H
InChIKeyGASKFAUNDSQYMB-UHFFFAOYSA-N
MW323.89 g/mol
LogP3.27
Rot. Bonds4

About 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride

2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride (PubChem CID 120769103) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
PubChem CID120769103
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2nccs2)cc1.Cl
InChIInChI=1S/C16H21N3S.ClH/c1-2-13-3-5-14(6-4-13)15-11-17-7-9-19(15)12-16-18-8-10-20-16;/h3-6,8,10,15,17H,2,7,9,11-12H2,1H3;1H
InChIKeyGASKFAUNDSQYMB-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride (CID 120769103) is 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride is CCc1ccc(C2CNCCN2Cc2nccs2)cc1.Cl.
What is the InChIKey of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
The InChIKey is GASKFAUNDSQYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S.ClH/c1-2-13-3-5-14(6-4-13)15-11-17-7-9-19(15)12-16-18-8-10-20-16;/h3-6,8,10,15,17H,2,7,9,11-12H2,1H3;1H.
What are the key properties of 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride?
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120769103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).