2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide

C11H13N3O2S — CID 112672683

IUPAC2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
SMILESCC(NOCC(N)=O)c1nc2ccccc2s1
InChIInChI=1S/C11H13N3O2S/c1-7(14-16-6-10(12)15)11-13-8-4-2-3-5-9(8)17-11/h2-5,7,14H,6H2,1H3,(H2,12,15)
InChIKeyHJFMSHWESANKKX-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide

2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide (PubChem CID 112672683) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
PubChem CID112672683
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
SMILESCC(NOCC(N)=O)c1nc2ccccc2s1
InChIInChI=1S/C11H13N3O2S/c1-7(14-16-6-10(12)15)11-13-8-4-2-3-5-9(8)17-11/h2-5,7,14H,6H2,1H3,(H2,12,15)
InChIKeyHJFMSHWESANKKX-UHFFFAOYSA-N
XLogP1.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
1-(1,3-benzothiazol-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720318
(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
methyl 2-(1,3-benzothiazol-2-yl)-2-hydroxyacetate
CID 45077460
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
ethyl 2-(1,3-benzothiazol-2-yl)-3-methylbutanoate
CID 79474808
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
CID 43402097
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylpropanamide
CID 43231791
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43177919
2-(1,3-benzothiazol-2-yl)butanebis(thioic S-acid);bis(2-methylpropan-1-amine)
CID 173357231

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide (CID 112672683) is 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide is CC(NOCC(N)=O)c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide?
The InChIKey is HJFMSHWESANKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(14-16-6-10(12)15)11-13-8-4-2-3-5-9(8)17-11/h2-5,7,14H,6H2,1H3,(H2,12,15).
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide?
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide has a molecular weight of 251.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide is sourced from PubChem (CID 112672683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).