N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide

C16H19F3N2O3S — CID 42814953

IUPACN-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
SMILESCOCCNC(=O)C(C)N1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3S/c1-10(14(23)20-7-8-24-2)21-13(22)9-25-15(21)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,15H,7-9H2,1-2H3,(H,20,23)
InChIKeySRBNBHGPMLSWPT-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.43
Rot. Bonds6

About N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide

N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide (PubChem CID 42814953) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
PubChem CID42814953
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
SMILESCOCCNC(=O)C(C)N1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3S/c1-10(14(23)20-7-8-24-2)21-13(22)9-25-15(21)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,15H,7-9H2,1-2H3,(H,20,23)
InChIKeySRBNBHGPMLSWPT-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide (CID 42814953) is N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide is COCCNC(=O)C(C)N1C(=O)CSC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is SRBNBHGPMLSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-10(14(23)20-7-8-24-2)21-13(22)9-25-15(21)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,15H,7-9H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 376.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 42814953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).