N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide

C19H18FN3O2S — CID 135691402

IUPACN-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
SMILESC[C@H](/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)c1ccccc1
InChIInChI=1S/C19H18FN3O2S/c1-12(13-5-3-2-4-6-13)21-19-23-18(25)16(26-19)11-17(24)22-15-9-7-14(20)8-10-15/h2-10,12,16H,11H2,1H3,(H,22,24)(H,21,23,25)/t12-,16-/m0/s1
InChIKeyXSHUQKNKLZOHRM-LRDDRELGSA-N
MW371.44 g/mol
LogP3.50
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide

N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691402) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691402
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
SMILESC[C@H](/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)c1ccccc1
InChIInChI=1S/C19H18FN3O2S/c1-12(13-5-3-2-4-6-13)21-19-23-18(25)16(26-19)11-17(24)22-15-9-7-14(20)8-10-15/h2-10,12,16H,11H2,1H3,(H,22,24)(H,21,23,25)/t12-,16-/m0/s1
InChIKeyXSHUQKNKLZOHRM-LRDDRELGSA-N
XLogP3.50
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691400
N-(3-chloro-4-methylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135775034
2-[(5S)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135797711
N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691431
N-(2,5-dimethylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691430
N-(4-fluorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618401
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136817665
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135797709
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
N-(4-fluorophenyl)-2-[(2Z)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422562
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
2-[(5R)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135927418

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide (CID 135691402) is N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide is C[C@H](/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is XSHUQKNKLZOHRM-LRDDRELGSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12(13-5-3-2-4-6-13)21-19-23-18(25)16(26-19)11-17(24)22-15-9-7-14(20)8-10-15/h2-10,12,16H,11H2,1H3,(H,22,24)(H,21,23,25)/t12-,16-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).