3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C9H13F3N2O3S — CID 103726316

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)6(15)5-13-7(16)1-2-14-3-4-18-8(14)17/h6,15H,1-5H2,(H,13,16)
InChIKeyFXFXTUNPYGJYFF-UHFFFAOYSA-N
MW286.27 g/mol
LogP0.58
Rot. Bonds5

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103726316) has the molecular formula C9H13F3N2O3S and a molecular weight of 286.27 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103726316
Molecular FormulaC9H13F3N2O3S
Molecular Weight286.27 g/mol
Exact Mass286.06
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)6(15)5-13-7(16)1-2-14-3-4-18-8(14)17/h6,15H,1-5H2,(H,13,16)
InChIKeyFXFXTUNPYGJYFF-UHFFFAOYSA-N
XLogP0.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769666
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 103770465
N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915356
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107482945
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248475
3-(2-amino-2-oxoethyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 113249098
N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113462684
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
3-(3-Amino-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 16795706
3-[(2S)-3-amino-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
CID 28112456
3-[2-Hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione
CID 43165949

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103726316) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is O=C(CCN1CCSC1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is FXFXTUNPYGJYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S/c10-9(11,12)6(15)5-13-7(16)1-2-14-3-4-18-8(14)17/h6,15H,1-5H2,(H,13,16).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 286.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103726316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).