2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one

C15H11NO3S — CID 118724020

IUPAC2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one
SMILESO=C(Cc1ccc(O)cc1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H11NO3S/c17-11-7-5-10(6-8-11)9-14(18)16-15(19)12-3-1-2-4-13(12)20-16/h1-8,17H,9H2
InChIKeyFOGVBUNJXCEAOT-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.65
Rot. Bonds2

About 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one

2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one (PubChem CID 118724020) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one
PubChem CID118724020
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one
SMILESO=C(Cc1ccc(O)cc1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H11NO3S/c17-11-7-5-10(6-8-11)9-14(18)16-15(19)12-3-1-2-4-13(12)20-16/h1-8,17H,9H2
InChIKeyFOGVBUNJXCEAOT-UHFFFAOYSA-N
XLogP2.65
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one (CID 118724020) is 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one is O=C(Cc1ccc(O)cc1)n1sc2ccccc2c1=O.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one?
The InChIKey is FOGVBUNJXCEAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-11-7-5-10(6-8-11)9-14(18)16-15(19)12-3-1-2-4-13(12)20-16/h1-8,17H,9H2.
What are the key properties of 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one?
2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one has a molecular weight of 285.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 118724020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).