3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid

C12H12FNO4S — CID 43359508

IUPAC3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)COc1cccc(F)c1
InChIInChI=1S/C12H12FNO4S/c13-8-2-1-3-9(4-8)18-5-11(15)14-7-19-6-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)
InChIKeyKABMVDSCWDOKNQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.19
Rot. Bonds4

About 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359508) has the molecular formula C12H12FNO4S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359508
Molecular FormulaC12H12FNO4S
Molecular Weight285.30 g/mol
Exact Mass285.05
IUPAC Name3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)COc1cccc(F)c1
InChIInChI=1S/C12H12FNO4S/c13-8-2-1-3-9(4-8)18-5-11(15)14-7-19-6-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)
InChIKeyKABMVDSCWDOKNQ-UHFFFAOYSA-N
XLogP1.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359508) is 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)COc1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KABMVDSCWDOKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4S/c13-8-2-1-3-9(4-8)18-5-11(15)14-7-19-6-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17).
What are the key properties of 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).