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

C18H24Cl3N3O2S — CID 120801811

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCCOC(C)c1ncc(C(=O)N2CCNCC2c2cccc(Cl)c2)s1.Cl.Cl
InChIInChI=1S/C18H22ClN3O2S.2ClH/c1-3-24-12(2)17-21-11-16(25-17)18(23)22-8-7-20-10-15(22)13-5-4-6-14(19)9-13;;/h4-6,9,11-12,15,20H,3,7-8,10H2,1-2H3;2*1H
InChIKeyKBPGVFRXLCWENQ-UHFFFAOYSA-N
MW452.84 g/mol
LogP4.52
Rot. Bonds5

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

[2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride (PubChem CID 120801811) has the molecular formula C18H24Cl3N3O2S and a molecular weight of 452.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
PubChem CID120801811
Molecular FormulaC18H24Cl3N3O2S
Molecular Weight452.84 g/mol
Exact Mass451.07
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCCOC(C)c1ncc(C(=O)N2CCNCC2c2cccc(Cl)c2)s1.Cl.Cl
InChIInChI=1S/C18H22ClN3O2S.2ClH/c1-3-24-12(2)17-21-11-16(25-17)18(23)22-8-7-20-10-15(22)13-5-4-6-14(19)9-13;;/h4-6,9,11-12,15,20H,3,7-8,10H2,1-2H3;2*1H
InChIKeyKBPGVFRXLCWENQ-UHFFFAOYSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120739917
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 120801979
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride (CID 120801811) is [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride is CCOC(C)c1ncc(C(=O)N2CCNCC2c2cccc(Cl)c2)s1.Cl.Cl.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is KBPGVFRXLCWENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S.2ClH/c1-3-24-12(2)17-21-11-16(25-17)18(23)22-8-7-20-10-15(22)13-5-4-6-14(19)9-13;;/h4-6,9,11-12,15,20H,3,7-8,10H2,1-2H3;2*1H.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
[2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 452.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 120801811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).