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

C15H12N2O3S — CID 52900723

IUPACN-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1O
InChIInChI=1S/C15H12N2O3S/c18-12-7-3-2-6-11(12)16-14(19)9-17-15(20)10-5-1-4-8-13(10)21-17/h1-8,18H,9H2,(H,16,19)
InChIKeyGHEXUFXSZWBEGE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.41
Rot. Bonds3

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

N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 52900723) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID52900723
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1O
InChIInChI=1S/C15H12N2O3S/c18-12-7-3-2-6-11(12)16-14(19)9-17-15(20)10-5-1-4-8-13(10)21-17/h1-8,18H,9H2,(H,16,19)
InChIKeyGHEXUFXSZWBEGE-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 44968084
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 2496717
methyl 3-[[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
CID 56670281
N-(2-methyl-5-thiomorpholin-4-ylsulfanylthiophen-3-yl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 171625399
N-[(3-chlorophenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 22514827
N-(3-hydroxy-5,7-dimethyl-1-adamantyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 118090902
N-(4-hydroxyphenyl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45494796
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
(E)-3-methyl-4-(3-oxo-1,2-benzothiazol-2-yl)but-2-enenitrile
CID 13321912
N-(2,4-dimethylphenyl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 22515047
2-hydroxy-3-(3-oxo-1,2-benzothiazol-2-yl)propanoic acid
CID 81435653
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-hydroxyphenyl)acetamide
CID 51531541

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 52900723) is N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is GHEXUFXSZWBEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-12-7-3-2-6-11(12)16-14(19)9-17-15(20)10-5-1-4-8-13(10)21-17/h1-8,18H,9H2,(H,16,19).
What are the key properties of N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-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-(2-hydroxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 52900723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).