4-hydroxy-5-phenyl-1,2-thiazol-3-one

C9H7NO2S — CID 91228123

IUPAC4-hydroxy-5-phenyl-1,2-thiazol-3-one
SMILESO=c1[nH]sc(-c2ccccc2)c1O
InChIInChI=1S/C9H7NO2S/c11-7-8(13-10-9(7)12)6-4-2-1-3-5-6/h1-5,11H,(H,10,12)
InChIKeyMGROOLKJVLZTNH-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.81
Rot. Bonds1

About 4-hydroxy-5-phenyl-1,2-thiazol-3-one

4-hydroxy-5-phenyl-1,2-thiazol-3-one (PubChem CID 91228123) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-1,2-thiazol-3-one
PubChem CID91228123
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name4-hydroxy-5-phenyl-1,2-thiazol-3-one
SMILESO=c1[nH]sc(-c2ccccc2)c1O
InChIInChI=1S/C9H7NO2S/c11-7-8(13-10-9(7)12)6-4-2-1-3-5-6/h1-5,11H,(H,10,12)
InChIKeyMGROOLKJVLZTNH-UHFFFAOYSA-N
XLogP1.81
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-hydroxy-5-phenyl-1,2-thiazol-3-one (CID 91228123) is 4-hydroxy-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-hydroxy-5-phenyl-1,2-thiazol-3-one is O=c1[nH]sc(-c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-5-phenyl-1,2-thiazol-3-one?
The InChIKey is MGROOLKJVLZTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-7-8(13-10-9(7)12)6-4-2-1-3-5-6/h1-5,11H,(H,10,12).
What are the key properties of 4-hydroxy-5-phenyl-1,2-thiazol-3-one?
4-hydroxy-5-phenyl-1,2-thiazol-3-one has a molecular weight of 193.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 91228123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).