4-(2-fluorophenyl)-5H-1,3-thiazol-2-one

C9H6FNOS — CID 170923813

IUPAC4-(2-fluorophenyl)-5H-1,3-thiazol-2-one
SMILESO=C1N=C(c2ccccc2F)CS1
InChIInChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-4H,5H2
InChIKeyBOVQNCXLONOFOS-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.48
Rot. Bonds1

About 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one

4-(2-fluorophenyl)-5H-1,3-thiazol-2-one (PubChem CID 170923813) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5H-1,3-thiazol-2-one
PubChem CID170923813
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name4-(2-fluorophenyl)-5H-1,3-thiazol-2-one
SMILESO=C1N=C(c2ccccc2F)CS1
InChIInChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-4H,5H2
InChIKeyBOVQNCXLONOFOS-UHFFFAOYSA-N
XLogP2.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one (CID 170923813) is 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one is O=C1N=C(c2ccccc2F)CS1.
What is the InChIKey of 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one?
The InChIKey is BOVQNCXLONOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-4H,5H2.
What are the key properties of 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one?
4-(2-fluorophenyl)-5H-1,3-thiazol-2-one has a molecular weight of 195.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5H-1,3-thiazol-2-one is sourced from PubChem (CID 170923813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).