3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one

C12H12FNO3S — CID 135069353

IUPAC3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one
SMILESCOc1ccc([C@@H](F)C(=O)N2CCSC2=O)cc1
InChIInChI=1S/C12H12FNO3S/c1-17-9-4-2-8(3-5-9)10(13)11(15)14-6-7-18-12(14)16/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyAVFKCAZGCYKETB-SNVBAGLBSA-N
MW269.30 g/mol
LogP2.40
Rot. Bonds3

About 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one

3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one (PubChem CID 135069353) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one
PubChem CID135069353
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one
SMILESCOc1ccc([C@@H](F)C(=O)N2CCSC2=O)cc1
InChIInChI=1S/C12H12FNO3S/c1-17-9-4-2-8(3-5-9)10(13)11(15)14-6-7-18-12(14)16/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyAVFKCAZGCYKETB-SNVBAGLBSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-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 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one (CID 135069353) is 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one is COc1ccc([C@@H](F)C(=O)N2CCSC2=O)cc1.
What is the InChIKey of 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one?
The InChIKey is AVFKCAZGCYKETB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-17-9-4-2-8(3-5-9)10(13)11(15)14-6-7-18-12(14)16/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one?
3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135069353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).