2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride

C23H32ClN3O2S — CID 71780229

IUPAC2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccc(-c2csc(CN3CCN(C(=O)CC4CCCCC4)CC3)n2)cc1.Cl
InChIInChI=1S/C23H31N3O2S.ClH/c1-28-20-9-7-19(8-10-20)21-17-29-22(24-21)16-25-11-13-26(14-12-25)23(27)15-18-5-3-2-4-6-18;/h7-10,17-18H,2-6,11-16H2,1H3;1H
InChIKeyCZBUIOHJXZLINX-UHFFFAOYSA-N
MW450.05 g/mol
LogP4.86
Rot. Bonds6

About 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride

2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride (PubChem CID 71780229) has the molecular formula C23H32ClN3O2S and a molecular weight of 450.05 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
PubChem CID71780229
Molecular FormulaC23H32ClN3O2S
Molecular Weight450.05 g/mol
Exact Mass449.19
IUPAC Name2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccc(-c2csc(CN3CCN(C(=O)CC4CCCCC4)CC3)n2)cc1.Cl
InChIInChI=1S/C23H31N3O2S.ClH/c1-28-20-9-7-19(8-10-20)21-17-29-22(24-21)16-25-11-13-26(14-12-25)23(27)15-18-5-3-2-4-6-18;/h7-10,17-18H,2-6,11-16H2,1H3;1H
InChIKeyCZBUIOHJXZLINX-UHFFFAOYSA-N
XLogP4.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.05
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 30464073
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551018

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride (CID 71780229) is 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride is COc1ccc(-c2csc(CN3CCN(C(=O)CC4CCCCC4)CC3)n2)cc1.Cl.
What is the InChIKey of 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is CZBUIOHJXZLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S.ClH/c1-28-20-9-7-19(8-10-20)21-17-29-22(24-21)16-25-11-13-26(14-12-25)23(27)15-18-5-3-2-4-6-18;/h7-10,17-18H,2-6,11-16H2,1H3;1H.
What are the key properties of 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride?
2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 450.05 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 71780229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).