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

C15H17F3N2O3S — CID 42815190

IUPACN-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
SMILESCOCCNC(=O)CN1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O3S/c1-23-7-6-19-12(21)8-20-13(22)9-24-14(20)10-2-4-11(5-3-10)15(16,17)18/h2-5,14H,6-9H2,1H3,(H,19,21)
InChIKeyTVGPEKNEIHHDRS-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.04
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide (PubChem CID 42815190) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
PubChem CID42815190
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
SMILESCOCCNC(=O)CN1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O3S/c1-23-7-6-19-12(21)8-20-13(22)9-24-14(20)10-2-4-11(5-3-10)15(16,17)18/h2-5,14H,6-9H2,1H3,(H,19,21)
InChIKeyTVGPEKNEIHHDRS-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.04
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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Related Compounds

N-(2-methoxyethyl)-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)acetamide
CID 24712221
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814953
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
N-octadecyl-2-[4-oxo-2-(4-phenylphenyl)-1,3-thiazolidin-3-yl]acetamide
CID 11215178
3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3781995
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605
methyl 4-[4-oxo-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3317359
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814458
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
N-[2-(dimethylamino)ethyl]-2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814850

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide (CID 42815190) is N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide is COCCNC(=O)CN1C(=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]acetamide?
The InChIKey is TVGPEKNEIHHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-23-7-6-19-12(21)8-20-13(22)9-24-14(20)10-2-4-11(5-3-10)15(16,17)18/h2-5,14H,6-9H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 2.04, 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]acetamide is sourced from PubChem (CID 42815190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).