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

C20H20IN3O2S — CID 25408145

IUPAC2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(I)cc1
InChIInChI=1S/C20H20IN3O2S/c1-3-24-19(26)17(12-18(25)22-16-6-4-5-13(2)11-16)27-20(24)23-15-9-7-14(21)8-10-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)/b23-20-/t17-/m1/s1
InChIKeyWKLXVZJPTSZBDU-HLGQQVFSSA-N
MW493.37 g/mol
LogP4.58
Rot. Bonds5

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

2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide (PubChem CID 25408145) has the molecular formula C20H20IN3O2S and a molecular weight of 493.37 g/mol. Its IUPAC name is 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
PubChem CID25408145
Molecular FormulaC20H20IN3O2S
Molecular Weight493.37 g/mol
Exact Mass493.03
IUPAC Name2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(I)cc1
InChIInChI=1S/C20H20IN3O2S/c1-3-24-19(26)17(12-18(25)22-16-6-4-5-13(2)11-16)27-20(24)23-15-9-7-14(21)8-10-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)/b23-20-/t17-/m1/s1
InChIKeyWKLXVZJPTSZBDU-HLGQQVFSSA-N
XLogP4.58
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.37
LogP ≤ 54.58
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-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 3575056
N-(3-chlorophenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40647344
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4026125
2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268
N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4054994
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
ethyl 4-[[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3409650
2-[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 17382439
N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 21368929
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(2,4-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 7324019

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide (CID 25408145) is 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide is CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(I)cc1.
What is the InChIKey of 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is WKLXVZJPTSZBDU-HLGQQVFSSA-N. The full InChI is InChI=1S/C20H20IN3O2S/c1-3-24-19(26)17(12-18(25)22-16-6-4-5-13(2)11-16)27-20(24)23-15-9-7-14(21)8-10-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)/b23-20-/t17-/m1/s1.
What are the key properties of 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 493.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 25408145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).