N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C8H11F3N2O3S — CID 103915375

IUPACN-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)N(CCO)CC(F)(F)F)CS1
InChIInChI=1S/C8H11F3N2O3S/c9-8(10,11)4-13(1-2-14)6(15)5-3-17-7(16)12-5/h5,14H,1-4H2,(H,12,16)
InChIKeyOIAHHDKBHODOLL-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.19
Rot. Bonds4

About N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103915375) has the molecular formula C8H11F3N2O3S and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID103915375
Molecular FormulaC8H11F3N2O3S
Molecular Weight272.25 g/mol
Exact Mass272.04
IUPAC NameN-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)N(CCO)CC(F)(F)F)CS1
InChIInChI=1S/C8H11F3N2O3S/c9-8(10,11)4-13(1-2-14)6(15)5-3-17-7(16)12-5/h5,14H,1-4H2,(H,12,16)
InChIKeyOIAHHDKBHODOLL-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 103915375) is N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)N(CCO)CC(F)(F)F)CS1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OIAHHDKBHODOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3S/c9-8(10,11)4-13(1-2-14)6(15)5-3-17-7(16)12-5/h5,14H,1-4H2,(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103915375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).