4-(3-fluorophenyl)-3H-1,3-thiazol-2-one

C9H6FNOS — CID 43286718

IUPAC4-(3-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cccc(F)c2)cs1
InChIInChI=1S/C9H6FNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKeyQGYIVYQOWUOKBC-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.24
Rot. Bonds1

About 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one

4-(3-fluorophenyl)-3H-1,3-thiazol-2-one (PubChem CID 43286718) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3H-1,3-thiazol-2-one
PubChem CID43286718
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name4-(3-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cccc(F)c2)cs1
InChIInChI=1S/C9H6FNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKeyQGYIVYQOWUOKBC-UHFFFAOYSA-N
XLogP2.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one (CID 43286718) is 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2cccc(F)c2)cs1.
What is the InChIKey of 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is QGYIVYQOWUOKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12).
What are the key properties of 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one?
4-(3-fluorophenyl)-3H-1,3-thiazol-2-one has a molecular weight of 195.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).