N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide

C13H18N2O3S — CID 3155103

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C13H18N2O3S/c1-4-18-7-10(17)15-12-14-8-5-13(2,3)6-9(16)11(8)19-12/h4-7H2,1-3H3,(H,14,15,17)
InChIKeyWXNWBOASHLBOMO-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.27
Rot. Bonds4

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide (PubChem CID 3155103) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide
PubChem CID3155103
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C13H18N2O3S/c1-4-18-7-10(17)15-12-14-8-5-13(2,3)6-9(16)11(8)19-12/h4-7H2,1-3H3,(H,14,15,17)
InChIKeyWXNWBOASHLBOMO-UHFFFAOYSA-N
XLogP2.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide (CID 3155103) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide is CCOCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide?
The InChIKey is WXNWBOASHLBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-18-7-10(17)15-12-14-8-5-13(2,3)6-9(16)11(8)19-12/h4-7H2,1-3H3,(H,14,15,17).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide has a molecular weight of 282.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide is sourced from PubChem (CID 3155103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).