2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride

C17H27Cl2N5O2S — CID 120880213

IUPAC2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCCOC(C)c1nc(CC(=O)N2CCNCC2c2nccn2C)cs1.Cl.Cl
InChIInChI=1S/C17H25N5O2S.2ClH/c1-4-24-12(2)17-20-13(11-25-17)9-15(23)22-8-5-18-10-14(22)16-19-6-7-21(16)3;;/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3;2*1H
InChIKeyNOJNMCCQPZHNPU-UHFFFAOYSA-N
MW436.41 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride

2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 120880213) has the molecular formula C17H27Cl2N5O2S and a molecular weight of 436.41 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID120880213
Molecular FormulaC17H27Cl2N5O2S
Molecular Weight436.41 g/mol
Exact Mass435.13
IUPAC Name2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCCOC(C)c1nc(CC(=O)N2CCNCC2c2nccn2C)cs1.Cl.Cl
InChIInChI=1S/C17H25N5O2S.2ClH/c1-4-24-12(2)17-20-13(11-25-17)9-15(23)22-8-5-18-10-14(22)16-19-6-7-21(16)3;;/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3;2*1H
InChIKeyNOJNMCCQPZHNPU-UHFFFAOYSA-N
XLogP2.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879333
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride (CID 120880213) is 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride is CCOC(C)c1nc(CC(=O)N2CCNCC2c2nccn2C)cs1.Cl.Cl.
What is the InChIKey of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is NOJNMCCQPZHNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S.2ClH/c1-4-24-12(2)17-20-13(11-25-17)9-15(23)22-8-5-18-10-14(22)16-19-6-7-21(16)3;;/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3;2*1H.
What are the key properties of 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 436.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120880213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).