3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C14H13FN2O4S — CID 121155045

IUPAC3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(COc1ccc(F)cc1)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C14H13FN2O4S/c15-9-1-3-11(4-2-9)21-7-12(18)16-5-10(6-16)17-13(19)8-22-14(17)20/h1-4,10H,5-8H2
InChIKeyHRYGLIWEDAFUKU-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.11
Rot. Bonds4

About 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121155045) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121155045
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(COc1ccc(F)cc1)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C14H13FN2O4S/c15-9-1-3-11(4-2-9)21-7-12(18)16-5-10(6-16)17-13(19)8-22-14(17)20/h1-4,10H,5-8H2
InChIKeyHRYGLIWEDAFUKU-UHFFFAOYSA-N
XLogP1.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(3-methylphenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155042
3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 91814780
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121154274
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
(3R,4R)-4-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 120979927
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 121022722
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 121155045) is 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C(COc1ccc(F)cc1)N1CC(N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HRYGLIWEDAFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c15-9-1-3-11(4-2-9)21-7-12(18)16-5-10(6-16)17-13(19)8-22-14(17)20/h1-4,10H,5-8H2.
What are the key properties of 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 324.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenoxy)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121155045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).