acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one

C12H11NO4S — CID 135764695

IUPACacetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILESCC(=O)O.O=c1cc(O)nc(-c2ccccc2)s1
InChIInChI=1S/C10H7NO2S.C2H4O2/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7;1-2(3)4/h1-6,12H;1H3,(H,3,4)
InChIKeyDFHNBUUUSQSBNO-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.97
Rot. Bonds1

About acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one

acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one (PubChem CID 135764695) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one.

Molecular Properties

Compound Nameacetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one
PubChem CID135764695
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Nameacetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILESCC(=O)O.O=c1cc(O)nc(-c2ccccc2)s1
InChIInChI=1S/C10H7NO2S.C2H4O2/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7;1-2(3)4/h1-6,12H;1H3,(H,3,4)
InChIKeyDFHNBUUUSQSBNO-UHFFFAOYSA-N
XLogP1.97
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-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 acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The IUPAC name of acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one (CID 135764695) is acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one.
What is the SMILES notation for acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The canonical SMILES for acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one is CC(=O)O.O=c1cc(O)nc(-c2ccccc2)s1.
What is the InChIKey of acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The InChIKey is DFHNBUUUSQSBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S.C2H4O2/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7;1-2(3)4/h1-6,12H;1H3,(H,3,4).
What are the key properties of acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one?
acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one has a molecular weight of 265.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-hydroxy-2-phenyl-1,3-thiazin-6-one is sourced from PubChem (CID 135764695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).