[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone

C16H28N4O2S — CID 120646449

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)c2csc(CCN)n2)CC1CC
InChIInChI=1S/C16H28N4O2S/c1-3-13-11-20(8-7-19(13)9-10-22-4-2)16(21)14-12-23-15(18-14)5-6-17/h12-13H,3-11,17H2,1-2H3
InChIKeyIXTFNGWIXAWUDK-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.22
Rot. Bonds8

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone (PubChem CID 120646449) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
PubChem CID120646449
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)c2csc(CCN)n2)CC1CC
InChIInChI=1S/C16H28N4O2S/c1-3-13-11-20(8-7-19(13)9-10-22-4-2)16(21)14-12-23-15(18-14)5-6-17/h12-13H,3-11,17H2,1-2H3
InChIKeyIXTFNGWIXAWUDK-UHFFFAOYSA-N
XLogP1.22
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390633
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
CID 120640636
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647544
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390979
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66390323
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 66390543

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone (CID 120646449) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone is CCOCCN1CCN(C(=O)c2csc(CCN)n2)CC1CC.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
The InChIKey is IXTFNGWIXAWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-3-13-11-20(8-7-19(13)9-10-22-4-2)16(21)14-12-23-15(18-14)5-6-17/h12-13H,3-11,17H2,1-2H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone has a molecular weight of 340.49 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone is sourced from PubChem (CID 120646449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).