N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N2O3S — CID 113351067

IUPACN-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CSCN1CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)5-13(1-2-15)7(16)3-14-6-18-4-8(14)17/h15H,1-6H2
InChIKeyCWMRFKIBFNIEHZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113351067) has the molecular formula C9H13F3N2O3S and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113351067
Molecular FormulaC9H13F3N2O3S
Molecular Weight286.28 g/mol
Exact Mass286.06
IUPAC NameN-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CSCN1CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c10-9(11,12)5-13(1-2-15)7(16)3-14-6-18-4-8(14)17/h15H,1-6H2
InChIKeyCWMRFKIBFNIEHZ-UHFFFAOYSA-N
XLogP-0.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 113351067) is N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C1CSCN1CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CWMRFKIBFNIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S/c10-9(11,12)5-13(1-2-15)7(16)3-14-6-18-4-8(14)17/h15H,1-6H2.
What are the key properties of N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 286.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113351067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).