N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide

C13H17N3O3S — CID 115949180

IUPACN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
SMILESCOc1cc(N)cc2sc(NC(=O)COC(C)C)nc12
InChIInChI=1S/C13H17N3O3S/c1-7(2)19-6-11(17)15-13-16-12-9(18-3)4-8(14)5-10(12)20-13/h4-5,7H,6,14H2,1-3H3,(H,15,16,17)
InChIKeyXEBZIUKSFKXRNU-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.25
Rot. Bonds5

About N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide (PubChem CID 115949180) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
PubChem CID115949180
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
SMILESCOc1cc(N)cc2sc(NC(=O)COC(C)C)nc12
InChIInChI=1S/C13H17N3O3S/c1-7(2)19-6-11(17)15-13-16-12-9(18-3)4-8(14)5-10(12)20-13/h4-5,7H,6,14H2,1-3H3,(H,15,16,17)
InChIKeyXEBZIUKSFKXRNU-UHFFFAOYSA-N
XLogP2.25
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide (CID 115949180) is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide is COc1cc(N)cc2sc(NC(=O)COC(C)C)nc12.
What is the InChIKey of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide?
The InChIKey is XEBZIUKSFKXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7(2)19-6-11(17)15-13-16-12-9(18-3)4-8(14)5-10(12)20-13/h4-5,7H,6,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide?
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide has a molecular weight of 295.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115949180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).