2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride

C12H23Cl2N5O2S — CID 119894259

IUPAC2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(c2nc(C)ns2)CC1.Cl.Cl
InChIInChI=1S/C12H21N5O2S.2ClH/c1-10-14-12(20-15-10)17-6-4-16(5-7-17)11(18)9-13-3-8-19-2;;/h13H,3-9H2,1-2H3;2*1H
InChIKeyQDOPLCKJSAGHKH-UHFFFAOYSA-N
MW372.32 g/mol
LogP0.57
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride

2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119894259) has the molecular formula C12H23Cl2N5O2S and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119894259
Molecular FormulaC12H23Cl2N5O2S
Molecular Weight372.32 g/mol
Exact Mass371.09
IUPAC Name2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(c2nc(C)ns2)CC1.Cl.Cl
InChIInChI=1S/C12H21N5O2S.2ClH/c1-10-14-12(20-15-10)17-6-4-16(5-7-17)11(18)9-13-3-8-19-2;;/h13H,3-9H2,1-2H3;2*1H
InChIKeyQDOPLCKJSAGHKH-UHFFFAOYSA-N
XLogP0.57
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119877158
N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 167935801
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
4-amino-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565804
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride (CID 119894259) is 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride is COCCNCC(=O)N1CCN(c2nc(C)ns2)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is QDOPLCKJSAGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S.2ClH/c1-10-14-12(20-15-10)17-6-4-16(5-7-17)11(18)9-13-3-8-19-2;;/h13H,3-9H2,1-2H3;2*1H.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride?
2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 372.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119894259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).