N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C15H12N2O3S — CID 1081531

IUPACN-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1
InChIInChI=1S/C15H12N2O3S/c18-11-7-5-10(6-8-11)16-14(19)9-17-12-3-1-2-4-13(12)21-15(17)20/h1-8,18H,9H2,(H,16,19)
InChIKeyVOZNZFBKSXLFNE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.41
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 1081531) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID1081531
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1
InChIInChI=1S/C15H12N2O3S/c18-11-7-5-10(6-8-11)16-14(19)9-17-12-3-1-2-4-13(12)21-15(17)20/h1-8,18H,9H2,(H,16,19)
InChIKeyVOZNZFBKSXLFNE-UHFFFAOYSA-N
XLogP2.41
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.41
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-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 1081531) is N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is VOZNZFBKSXLFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-11-7-5-10(6-8-11)16-14(19)9-17-12-3-1-2-4-13(12)21-15(17)20/h1-8,18H,9H2,(H,16,19).
What are the key properties of N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 1081531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).