N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide

C14H13F3N2O2S — CID 5011011

IUPACN-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCCN1CC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2S/c1-9(20)18-13-19(5-6-22-13)8-12(21)10-3-2-4-11(7-10)14(15,16)17/h2-4,7H,5-6,8H2,1H3/b18-13-
InChIKeyHIWNOBAJWPNDJU-AQTBWJFISA-N
MW330.33 g/mol
LogP2.84
Rot. Bonds3

About N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide

N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 5011011) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID5011011
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCCN1CC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2S/c1-9(20)18-13-19(5-6-22-13)8-12(21)10-3-2-4-11(7-10)14(15,16)17/h2-4,7H,5-6,8H2,1H3/b18-13-
InChIKeyHIWNOBAJWPNDJU-AQTBWJFISA-N
XLogP2.84
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(3-(2-oxo-2-phenylethyl)-1,3-thiazol-2(3H)-ylidene)acetamide
CID 824469
1-(4-Fluorophenyl)-2-(2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 544945
2-(2-Iminothiazolidin-3-yl)-1-phenylethan-1-one
CID 81157
(2-(ethylthio)-4,5-dihydro-1H-imidazol-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 5198275
N-[3-[2-(3-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide;oxalic acid
CID 90671974
N-[3-(2-Oxo-2-phenylethyl)-2-thiazolidinylidene]acetamide
CID 81156
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 126477131
(Z)-N-(3-(2-oxo-2-phenylethyl)thiazolidin-2-ylidene)benzamide
CID 1542450
1-(4-Fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone;hydrobromide
CID 2798500
1-(4-Fluorophenyl)-2-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone bromide
CID 45108804
N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide
CID 66643280
[(E)-3-oxo-3-[3-(trifluoromethyl)phenyl]prop-1-enyl] N-ethenyl-N,N'-dimethylcarbamimidothioate
CID 156650219

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide (CID 5011011) is N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide is CC(=O)/N=C1\SCCN1CC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is HIWNOBAJWPNDJU-AQTBWJFISA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-9(20)18-13-19(5-6-22-13)8-12(21)10-3-2-4-11(7-10)14(15,16)17/h2-4,7H,5-6,8H2,1H3/b18-13-.
What are the key properties of N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide?
N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 330.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 5011011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).