2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide

C13H15N3O3S — CID 177333142

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide
SMILESNC(=O)C(Oc1nc2ccc(N)cc2s1)C1CCOC1
InChIInChI=1S/C13H15N3O3S/c14-8-1-2-9-10(5-8)20-13(16-9)19-11(12(15)17)7-3-4-18-6-7/h1-2,5,7,11H,3-4,6,14H2,(H2,15,17)
InChIKeyMVSAYBZCZLWCHV-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.15
Rot. Bonds4

About 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide

2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide (PubChem CID 177333142) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide
PubChem CID177333142
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide
SMILESNC(=O)C(Oc1nc2ccc(N)cc2s1)C1CCOC1
InChIInChI=1S/C13H15N3O3S/c14-8-1-2-9-10(5-8)20-13(16-9)19-11(12(15)17)7-3-4-18-6-7/h1-2,5,7,11H,3-4,6,14H2,(H2,15,17)
InChIKeyMVSAYBZCZLWCHV-UHFFFAOYSA-N
XLogP1.15
TPSA100.46 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 ≤ 51.15
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

2-(oxan-4-ylmethoxy)-1,3-benzothiazol-6-amine
CID 63229167
N-(6-amino-1,3-benzothiazol-2-yl)-1,4-dioxane-2-carboxamide
CID 62799366
2-(oxolan-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 55176125
N-(6-amino-1,3-benzothiazol-2-yl)-2-(oxetan-3-yloxy)propanamide
CID 102605522
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamide;3-methoxyoxane
CID 177333371
2-(1,4-dioxan-2-yl)-1,3-benzothiazol-6-amine
CID 66201129
2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine
CID 64745304
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
CID 62115980
N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
CID 28535611
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 61357673
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide (CID 177333142) is 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide is NC(=O)C(Oc1nc2ccc(N)cc2s1)C1CCOC1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide?
The InChIKey is MVSAYBZCZLWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-8-1-2-9-10(5-8)20-13(16-9)19-11(12(15)17)7-3-4-18-6-7/h1-2,5,7,11H,3-4,6,14H2,(H2,15,17).
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide?
2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)oxy]-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 177333142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).