N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide

C13H15N3O3S — CID 102605522

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide
SMILESCC(OC1COC1)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H15N3O3S/c1-7(19-9-5-18-6-9)12(17)16-13-15-10-3-2-8(14)4-11(10)20-13/h2-4,7,9H,5-6,14H2,1H3,(H,15,16,17)
InChIKeyRYYIELAHSNKVRY-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.62
Rot. Bonds4

About N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide (PubChem CID 102605522) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide
PubChem CID102605522
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide
SMILESCC(OC1COC1)C(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H15N3O3S/c1-7(19-9-5-18-6-9)12(17)16-13-15-10-3-2-8(14)4-11(10)20-13/h2-4,7,9H,5-6,14H2,1H3,(H,15,16,17)
InChIKeyRYYIELAHSNKVRY-UHFFFAOYSA-N
XLogP1.62
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)-2-pentan-2-yloxypropanamide
CID 102980709
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfanylpropanamide
CID 54907894
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfonylpropanamide
CID 61024285
N-(6-amino-1,3-benzothiazol-2-yl)-1,4-dioxane-2-carboxamide
CID 62799366
N-(6-amino-1,3-benzothiazol-2-yl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272521
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161486
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749094
N-(6-amino-1,3-benzothiazol-2-yl)-2-(4-methylpyrazol-1-yl)propanamide
CID 60873659
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide (CID 102605522) is N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide is CC(OC1COC1)C(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide?
The InChIKey is RYYIELAHSNKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7(19-9-5-18-6-9)12(17)16-13-15-10-3-2-8(14)4-11(10)20-13/h2-4,7,9H,5-6,14H2,1H3,(H,15,16,17).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide is sourced from PubChem (CID 102605522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).