3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide

C14H16F2N2O2S — CID 24712036

IUPAC3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)CSC1c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O2S/c1-17(2)12(19)5-6-18-13(20)8-21-14(18)10-4-3-9(15)7-11(10)16/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeySSJKCPZLEBTESU-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.02
Rot. Bonds4

About 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide

3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 24712036) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
PubChem CID24712036
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)CSC1c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O2S/c1-17(2)12(19)5-6-18-13(20)8-21-14(18)10-4-3-9(15)7-11(10)16/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeySSJKCPZLEBTESU-UHFFFAOYSA-N
XLogP2.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-fluorobenzyl)-3-methylbutanamide
CID 2986788
3-[3-(Dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
3-[3-(Dimethylamino)propyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860520

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide (CID 24712036) is 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1C(=O)CSC1c1ccc(F)cc1F.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is SSJKCPZLEBTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c1-17(2)12(19)5-6-18-13(20)8-21-14(18)10-4-3-9(15)7-11(10)16/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 314.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 24712036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).