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

C21H22FN3O2S — CID 21368763

IUPACN-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)S/C1=N\c1ccccc1F
InChIInChI=1S/C21H22FN3O2S/c1-4-25-20(27)18(28-21(25)24-17-8-6-5-7-16(17)22)12-19(26)23-15-10-13(2)9-14(3)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,26)/b24-21-
InChIKeyVWOWJNVQQSNJQH-FLFQWRMESA-N
MW399.49 g/mol
LogP4.42
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21368763) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID21368763
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)S/C1=N\c1ccccc1F
InChIInChI=1S/C21H22FN3O2S/c1-4-25-20(27)18(28-21(25)24-17-8-6-5-7-16(17)22)12-19(26)23-15-10-13(2)9-14(3)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,26)/b24-21-
InChIKeyVWOWJNVQQSNJQH-FLFQWRMESA-N
XLogP4.42
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 21368929
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 21368779
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368867
2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 21368928
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 21368790
N-(3,5-dimethylphenyl)-2-[(2E)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21368980
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 25408145
2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368734
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3941970
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 21368763) is N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)S/C1=N\c1ccccc1F.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VWOWJNVQQSNJQH-FLFQWRMESA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-4-25-20(27)18(28-21(25)24-17-8-6-5-7-16(17)22)12-19(26)23-15-10-13(2)9-14(3)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,26)/b24-21-.
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21368763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).