N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide

C17H16N2O3S — CID 2147563

IUPACN-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide
SMILESCCOc1ccc2nc(-c3cc(NC(C)=O)ccc3O)sc2c1
InChIInChI=1S/C17H16N2O3S/c1-3-22-12-5-6-14-16(9-12)23-17(19-14)13-8-11(18-10(2)20)4-7-15(13)21/h4-9,21H,3H2,1-2H3,(H,18,20)
InChIKeyXNQPJHIWVOZVHG-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.03
Rot. Bonds4

About N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide

N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide (PubChem CID 2147563) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide
PubChem CID2147563
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide
SMILESCCOc1ccc2nc(-c3cc(NC(C)=O)ccc3O)sc2c1
InChIInChI=1S/C17H16N2O3S/c1-3-22-12-5-6-14-16(9-12)23-17(19-14)13-8-11(18-10(2)20)4-7-15(13)21/h4-9,21H,3H2,1-2H3,(H,18,20)
InChIKeyXNQPJHIWVOZVHG-UHFFFAOYSA-N
XLogP4.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide (CID 2147563) is N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide is CCOc1ccc2nc(-c3cc(NC(C)=O)ccc3O)sc2c1.
What is the InChIKey of N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
The InChIKey is XNQPJHIWVOZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-22-12-5-6-14-16(9-12)23-17(19-14)13-8-11(18-10(2)20)4-7-15(13)21/h4-9,21H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide has a molecular weight of 328.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 2147563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).