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

C9H7NOS — CID 2748720

IUPAC2-phenyl-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccccc2)=N1
InChIInChI=1S/C9H7NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyLFLIZASYILFMIO-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.71
Rot. Bonds1

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

2-phenyl-1,3-thiazol-4-one (PubChem CID 2748720) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-phenyl-1,3-thiazol-4-one
PubChem CID2748720
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name2-phenyl-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccccc2)=N1
InChIInChI=1S/C9H7NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyLFLIZASYILFMIO-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 2-phenyl-1,3-thiazol-4-one (CID 2748720) is 2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 2-phenyl-1,3-thiazol-4-one is O=C1CSC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-1,3-thiazol-4-one?
The InChIKey is LFLIZASYILFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-1,3-thiazol-4-one?
2-phenyl-1,3-thiazol-4-one has a molecular weight of 177.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 2748720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).