2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone

C11H18N4OS — CID 82511924

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
SMILESCC(N)c1nc(CC(=O)N2CCNCC2)cs1
InChIInChI=1S/C11H18N4OS/c1-8(12)11-14-9(7-17-11)6-10(16)15-4-2-13-3-5-15/h7-8,13H,2-6,12H2,1H3
InChIKeyNPKNMYRGJYTZTR-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.14
Rot. Bonds3

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone (PubChem CID 82511924) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
PubChem CID82511924
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
SMILESCC(N)c1nc(CC(=O)N2CCNCC2)cs1
InChIInChI=1S/C11H18N4OS/c1-8(12)11-14-9(7-17-11)6-10(16)15-4-2-13-3-5-15/h7-8,13H,2-6,12H2,1H3
InChIKeyNPKNMYRGJYTZTR-UHFFFAOYSA-N
XLogP0.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
1-(1,4-diazepan-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119415665
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
CID 107380194
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone (CID 82511924) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone is CC(N)c1nc(CC(=O)N2CCNCC2)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
The InChIKey is NPKNMYRGJYTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(12)11-14-9(7-17-11)6-10(16)15-4-2-13-3-5-15/h7-8,13H,2-6,12H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone has a molecular weight of 254.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 82511924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).