[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride

C20H29Cl2N3O2S — CID 120739917

IUPAC[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCOC(C)c1ncc(C(=O)N2CCNCC2c2ccc(CC)cc2)s1.Cl.Cl
InChIInChI=1S/C20H27N3O2S.2ClH/c1-4-15-6-8-16(9-7-15)17-12-21-10-11-23(17)20(24)18-13-22-19(26-18)14(3)25-5-2;;/h6-9,13-14,17,21H,4-5,10-12H2,1-3H3;2*1H
InChIKeyNEDMJWXHAXQZNL-UHFFFAOYSA-N
MW446.44 g/mol
LogP4.43
Rot. Bonds6

About [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride

[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120739917) has the molecular formula C20H29Cl2N3O2S and a molecular weight of 446.44 g/mol. Its IUPAC name is [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID120739917
Molecular FormulaC20H29Cl2N3O2S
Molecular Weight446.44 g/mol
Exact Mass445.14
IUPAC Name[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCOC(C)c1ncc(C(=O)N2CCNCC2c2ccc(CC)cc2)s1.Cl.Cl
InChIInChI=1S/C20H27N3O2S.2ClH/c1-4-15-6-8-16(9-7-15)17-12-21-10-11-23(17)20(24)18-13-22-19(26-18)14(3)25-5-2;;/h6-9,13-14,17,21H,4-5,10-12H2,1-3H3;2*1H
InChIKeyNEDMJWXHAXQZNL-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120801811
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
CID 120741050
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120741106
[2-(4-ethylphenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 120740326
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
CID 120740428
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120740905
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride (CID 120739917) is [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride is CCOC(C)c1ncc(C(=O)N2CCNCC2c2ccc(CC)cc2)s1.Cl.Cl.
What is the InChIKey of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is NEDMJWXHAXQZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S.2ClH/c1-4-15-6-8-16(9-7-15)17-12-21-10-11-23(17)20(24)18-13-22-19(26-18)14(3)25-5-2;;/h6-9,13-14,17,21H,4-5,10-12H2,1-3H3;2*1H.
What are the key properties of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride?
[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 446.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120739917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).