5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride

C17H24ClN3S — CID 120769011

IUPAC5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2scnc2C)cc1.Cl
InChIInChI=1S/C17H23N3S.ClH/c1-3-14-4-6-15(7-5-14)16-10-18-8-9-20(16)11-17-13(2)19-12-21-17;/h4-7,12,16,18H,3,8-11H2,1-2H3;1H
InChIKeyZERLIQZZWKRISC-UHFFFAOYSA-N
MW337.92 g/mol
LogP3.58
Rot. Bonds4

About 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride

5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride (PubChem CID 120769011) has the molecular formula C17H24ClN3S and a molecular weight of 337.92 g/mol. Its IUPAC name is 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
PubChem CID120769011
Molecular FormulaC17H24ClN3S
Molecular Weight337.92 g/mol
Exact Mass337.14
IUPAC Name5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2scnc2C)cc1.Cl
InChIInChI=1S/C17H23N3S.ClH/c1-3-14-4-6-15(7-5-14)16-10-18-8-9-20(16)11-17-13(2)19-12-21-17;/h4-7,12,16,18H,3,8-11H2,1-2H3;1H
InChIKeyZERLIQZZWKRISC-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
3-tert-butyl-5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758116
5-tert-butyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758056

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride (CID 120769011) is 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride is CCc1ccc(C2CNCCN2Cc2scnc2C)cc1.Cl.
What is the InChIKey of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride?
The InChIKey is ZERLIQZZWKRISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S.ClH/c1-3-14-4-6-15(7-5-14)16-10-18-8-9-20(16)11-17-13(2)19-12-21-17;/h4-7,12,16,18H,3,8-11H2,1-2H3;1H.
What are the key properties of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride?
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120769011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).