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

C21H22FN3O4S — CID 21368734

IUPAC2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1cc(OC)ccc1OC
InChIInChI=1S/C21H22FN3O4S/c1-4-25-20(27)18(12-19(26)23-15-8-6-5-7-14(15)22)30-21(25)24-16-11-13(28-2)9-10-17(16)29-3/h5-11,18H,4,12H2,1-3H3,(H,23,26)/b24-21-
InChIKeyWZEHZWQLUKZYAT-FLFQWRMESA-N
MW431.49 g/mol
LogP3.82
Rot. Bonds7

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

2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 21368734) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID21368734
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1cc(OC)ccc1OC
InChIInChI=1S/C21H22FN3O4S/c1-4-25-20(27)18(12-19(26)23-15-8-6-5-7-14(15)22)30-21(25)24-16-11-13(28-2)9-10-17(16)29-3/h5-11,18H,4,12H2,1-3H3,(H,23,26)/b24-21-
InChIKeyWZEHZWQLUKZYAT-FLFQWRMESA-N
XLogP3.82
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368867
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
N-(2-fluorophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974369
N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368763
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368800
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-(2-methoxyphenyl)acetamide
CID 7318576
2-[(5S)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-hexoxyphenyl)acetamide
CID 41242525
N-(2-fluorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555632
N-(2,5-dimethoxyphenyl)-2-[(5S)-2-(2-ethoxyphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860502
N-(2,5-dimethoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 41056673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 21368734) is 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1cc(OC)ccc1OC.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is WZEHZWQLUKZYAT-FLFQWRMESA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-4-25-20(27)18(12-19(26)23-15-8-6-5-7-14(15)22)30-21(25)24-16-11-13(28-2)9-10-17(16)29-3/h5-11,18H,4,12H2,1-3H3,(H,23,26)/b24-21-.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 21368734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).