1-oxo-5-phenyl-1,2-thiazol-3-one

C9H7NO2S — CID 146833326

IUPAC1-oxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccccc2)S(=O)N1
InChIInChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyACHAHAOAGDMQSL-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.82
Rot. Bonds1

About 1-oxo-5-phenyl-1,2-thiazol-3-one

1-oxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 146833326) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-oxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-phenyl-1,2-thiazol-3-one
PubChem CID146833326
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name1-oxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccccc2)S(=O)N1
InChIInChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyACHAHAOAGDMQSL-UHFFFAOYSA-N
XLogP0.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-phenyl-1,2-thiazol-3-one (CID 146833326) is 1-oxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-phenyl-1,2-thiazol-3-one is O=C1C=C(c2ccccc2)S(=O)N1.
What is the InChIKey of 1-oxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is ACHAHAOAGDMQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-9-6-8(13(12)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11).
What are the key properties of 1-oxo-5-phenyl-1,2-thiazol-3-one?
1-oxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 193.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 146833326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).