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

C19H18IN3O2S — CID 41244800

IUPAC2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(I)cc1
InChIInChI=1S/C19H18IN3O2S/c1-2-23-18(25)16(12-17(24)21-14-6-4-3-5-7-14)26-19(23)22-15-10-8-13(20)9-11-15/h3-11,16H,2,12H2,1H3,(H,21,24)/b22-19-/t16-/m0/s1
InChIKeySIVKOKIBNXGQFR-VFOOBRQFSA-N
MW479.34 g/mol
LogP4.27
Rot. Bonds5

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

2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 41244800) has the molecular formula C19H18IN3O2S and a molecular weight of 479.34 g/mol. Its IUPAC name is 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID41244800
Molecular FormulaC19H18IN3O2S
Molecular Weight479.34 g/mol
Exact Mass479.02
IUPAC Name2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(I)cc1
InChIInChI=1S/C19H18IN3O2S/c1-2-23-18(25)16(12-17(24)21-14-6-4-3-5-7-14)26-19(23)22-15-10-8-13(20)9-11-15/h3-11,16H,2,12H2,1H3,(H,21,24)/b22-19-/t16-/m0/s1
InChIKeySIVKOKIBNXGQFR-VFOOBRQFSA-N
XLogP4.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 54.27
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-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 3575056
2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 25408145
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
2-[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 17382439
ethyl 4-[[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3409650
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 21368928
2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077146
2-[(5R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077143
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 41244800) is 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(I)cc1.
What is the InChIKey of 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is SIVKOKIBNXGQFR-VFOOBRQFSA-N. The full InChI is InChI=1S/C19H18IN3O2S/c1-2-23-18(25)16(12-17(24)21-14-6-4-3-5-7-14)26-19(23)22-15-10-8-13(20)9-11-15/h3-11,16H,2,12H2,1H3,(H,21,24)/b22-19-/t16-/m0/s1.
What are the key properties of 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 479.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 41244800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).