2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C21H22FN3O2S — CID 135725296

IUPAC2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCCc1cccc(CC)c1/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1
InChIInChI=1S/C21H22FN3O2S/c1-3-13-8-7-9-14(4-2)19(13)24-21-25-20(27)17(28-21)12-18(26)23-16-11-6-5-10-15(16)22/h5-11,17H,3-4,12H2,1-2H3,(H,23,26)(H,24,25,27)/t17-/m1/s1
InChIKeyYTQCGHYSUQHMAZ-QGZVFWFLSA-N
MW399.49 g/mol
LogP4.20
Rot. Bonds6

About 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 135725296) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID135725296
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC Name2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCCc1cccc(CC)c1/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1
InChIInChI=1S/C21H22FN3O2S/c1-3-13-8-7-9-14(4-2)19(13)24-21-25-20(27)17(28-21)12-18(26)23-16-11-6-5-10-15(16)22/h5-11,17H,3-4,12H2,1-2H3,(H,23,26)(H,24,25,27)/t17-/m1/s1
InChIKeyYTQCGHYSUQHMAZ-QGZVFWFLSA-N
XLogP4.20
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.20
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

2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(2-ethyl-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704885
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692169
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692170
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135725303
2-[(5S)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 135691661
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367
N-(2,4-difluorophenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692172
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692137
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135704997
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 135725296) is 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is CCc1cccc(CC)c1/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1.
What is the InChIKey of 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is YTQCGHYSUQHMAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-3-13-8-7-9-14(4-2)19(13)24-21-25-20(27)17(28-21)12-18(26)23-16-11-6-5-10-15(16)22/h5-11,17H,3-4,12H2,1-2H3,(H,23,26)(H,24,25,27)/t17-/m1/s1.
What are the key properties of 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 135725296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).