N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide

C13H13FN2O2S — CID 126477131

IUPACN-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCCN1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3/b15-13-
InChIKeyYOGUOVALELIASU-SQFISAMPSA-N
MW280.32 g/mol
LogP1.96
Rot. Bonds3

About N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide

N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 126477131) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID126477131
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCCN1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3/b15-13-
InChIKeyYOGUOVALELIASU-SQFISAMPSA-N
XLogP1.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.96
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

3-(2-Oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 652953
2,2,2-trifluoro-N-(3-(2-oxo-2-phenylethyl)-1,3-thiazol-2(3H)-ylidene)acetamide
CID 824469
CID 15944810
CID 15944810
1-(4-Fluorophenyl)-2-(2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 544945
2-{2-[(E)-Benzylimino]-thiazolidin-3-yl}-1-phenyl-ethanone
CID 12005521
2-(2-Iminothiazolidin-3-yl)-1-phenylethan-1-one
CID 81157
N-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 5011011
N-[3-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-2-fluorobenzamide
CID 45976536
N-[4,5-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 83281116
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
1-Phenyl-2-(1,3-thiazolidin-3-yl)ethanone
CID 14941162

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide (CID 126477131) is N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide is CC(=O)/N=C1\SCCN1CC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is YOGUOVALELIASU-SQFISAMPSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3/b15-13-.
What are the key properties of N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide?
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 280.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 126477131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).