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

C19H17FIN3O2S — CID 3575056

IUPAC2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(I)cc2)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C19H17FIN3O2S/c1-2-24-18(26)16(11-17(25)22-14-9-5-13(21)6-10-14)27-19(24)23-15-7-3-12(20)4-8-15/h3-10,16H,2,11H2,1H3,(H,22,25)/b23-19-
InChIKeyLWFKSNNZUUHDST-NMWGTECJSA-N
MW497.33 g/mol
LogP4.41
Rot. Bonds5

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

2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide (PubChem CID 3575056) has the molecular formula C19H17FIN3O2S and a molecular weight of 497.33 g/mol. Its IUPAC name is 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
PubChem CID3575056
Molecular FormulaC19H17FIN3O2S
Molecular Weight497.33 g/mol
Exact Mass497.01
IUPAC Name2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(I)cc2)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C19H17FIN3O2S/c1-2-24-18(26)16(11-17(25)22-14-9-5-13(21)6-10-14)27-19(24)23-15-7-3-12(20)4-8-15/h3-10,16H,2,11H2,1H3,(H,22,25)/b23-19-
InChIKeyLWFKSNNZUUHDST-NMWGTECJSA-N
XLogP4.41
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 25408145
N-(3-chlorophenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40647344
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1299861
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4026125
N-(4-fluorophenyl)-2-[(5S)-2-(4-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7974243
N-(2,4-dimethylphenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318827
2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368913
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
CID 17382438
2-[(5S)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 40830248
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368800
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide (CID 3575056) is 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccc(I)cc2)S/C1=N\c1ccc(F)cc1.
What is the InChIKey of 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is LWFKSNNZUUHDST-NMWGTECJSA-N. The full InChI is InChI=1S/C19H17FIN3O2S/c1-2-24-18(26)16(11-17(25)22-14-9-5-13(21)6-10-14)27-19(24)23-15-7-3-12(20)4-8-15/h3-10,16H,2,11H2,1H3,(H,22,25)/b23-19-.
What are the key properties of 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide?
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 497.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 3575056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).