(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide

C9H13F3N2O2S — CID 59473895

IUPAC(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CC(CC(F)(F)F)SC1=O
InChIInChI=1S/C9H13F3N2O2S/c1-2-6(7(13)15)14-4-5(17-8(14)16)3-9(10,11)12/h5-6H,2-4H2,1H3,(H2,13,15)/t5?,6-/m0/s1
InChIKeyGYGZIDNKFLKQPM-GDVGLLTNSA-N
MW270.28 g/mol
LogP1.74
Rot. Bonds4

About (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide

(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide (PubChem CID 59473895) has the molecular formula C9H13F3N2O2S and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
PubChem CID59473895
Molecular FormulaC9H13F3N2O2S
Molecular Weight270.28 g/mol
Exact Mass270.06
IUPAC Name(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CC(CC(F)(F)F)SC1=O
InChIInChI=1S/C9H13F3N2O2S/c1-2-6(7(13)15)14-4-5(17-8(14)16)3-9(10,11)12/h5-6H,2-4H2,1H3,(H2,13,15)/t5?,6-/m0/s1
InChIKeyGYGZIDNKFLKQPM-GDVGLLTNSA-N
XLogP1.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide?
The IUPAC name of (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide (CID 59473895) is (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide.
What is the SMILES notation for (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide?
The canonical SMILES for (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide is CC[C@@H](C(N)=O)N1CC(CC(F)(F)F)SC1=O.
What is the InChIKey of (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide?
The InChIKey is GYGZIDNKFLKQPM-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H13F3N2O2S/c1-2-6(7(13)15)14-4-5(17-8(14)16)3-9(10,11)12/h5-6H,2-4H2,1H3,(H2,13,15)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide?
(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide has a molecular weight of 270.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide is sourced from PubChem (CID 59473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).