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

C10H15F3N2O3S — CID 103915356

IUPACN-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCN1CCSC1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3S/c11-10(12,13)7-15(3-5-16)8(17)1-2-14-4-6-19-9(14)18/h16H,1-7H2
InChIKeyDWFXUNDXPFWGDA-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.93
Rot. Bonds6

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

N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915356) has the molecular formula C10H15F3N2O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915356
Molecular FormulaC10H15F3N2O3S
Molecular Weight300.30 g/mol
Exact Mass300.08
IUPAC NameN-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCN1CCSC1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3S/c11-10(12,13)7-15(3-5-16)8(17)1-2-14-4-6-19-9(14)18/h16H,1-7H2
InChIKeyDWFXUNDXPFWGDA-UHFFFAOYSA-N
XLogP0.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
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)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103915356) is N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCN1CCSC1=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DWFXUNDXPFWGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S/c11-10(12,13)7-15(3-5-16)8(17)1-2-14-4-6-19-9(14)18/h16H,1-7H2.
What are the key properties of N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 300.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).