2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C8H11F3N2O3S — CID 113248475

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CN1CSCC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3S/c9-8(10,11)5(14)1-12-6(15)2-13-4-17-3-7(13)16/h5,14H,1-4H2,(H,12,15)
InChIKeyPHNUVRGYQDYTHW-UHFFFAOYSA-N
MW272.25 g/mol
LogP-0.44
Rot. Bonds4

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 113248475) has the molecular formula C8H11F3N2O3S and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID113248475
Molecular FormulaC8H11F3N2O3S
Molecular Weight272.25 g/mol
Exact Mass272.04
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CN1CSCC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3S/c9-8(10,11)5(14)1-12-6(15)2-13-4-17-3-7(13)16/h5,14H,1-4H2,(H,12,15)
InChIKeyPHNUVRGYQDYTHW-UHFFFAOYSA-N
XLogP-0.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 113248475) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CN1CSCC1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is PHNUVRGYQDYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3S/c9-8(10,11)5(14)1-12-6(15)2-13-4-17-3-7(13)16/h5,14H,1-4H2,(H,12,15).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 272.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113248475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).