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

C9H7NOS — CID 11052198

IUPAC2-phenyl-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1ccccc1
InChIInChI=1S/C9H7NOS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyVFUQPOSQUAVDEZ-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.90
Rot. Bonds1

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

2-phenyl-1,2-thiazol-3-one (PubChem CID 11052198) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-phenyl-1,2-thiazol-3-one
PubChem CID11052198
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name2-phenyl-1,2-thiazol-3-one
SMILESO=c1ccsn1-c1ccccc1
InChIInChI=1S/C9H7NOS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyVFUQPOSQUAVDEZ-UHFFFAOYSA-N
XLogP1.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-phenyl-1,2-thiazol-3-one (CID 11052198) is 2-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-phenyl-1,2-thiazol-3-one is O=c1ccsn1-c1ccccc1.
What is the InChIKey of 2-phenyl-1,2-thiazol-3-one?
The InChIKey is VFUQPOSQUAVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-9-6-7-12-10(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenyl-1,2-thiazol-3-one?
2-phenyl-1,2-thiazol-3-one has a molecular weight of 177.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 11052198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).