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

C20H19ClFN3O2S — CID 9498884

IUPACN-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccccc1F
InChIInChI=1S/C20H19ClFN3O2S/c1-3-25-19(27)17(28-20(25)24-15-7-5-4-6-14(15)22)11-18(26)23-16-10-13(21)9-8-12(16)2/h4-10,17H,3,11H2,1-2H3,(H,23,26)/b24-20-/t17-/m1/s1
InChIKeyGOFYGJOPHKDCMO-BJUXRVGASA-N
MW419.91 g/mol
LogP4.77
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 9498884) has the molecular formula C20H19ClFN3O2S and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID9498884
Molecular FormulaC20H19ClFN3O2S
Molecular Weight419.91 g/mol
Exact Mass419.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccccc1F
InChIInChI=1S/C20H19ClFN3O2S/c1-3-25-19(27)17(28-20(25)24-15-7-5-4-6-14(15)22)11-18(26)23-16-10-13(21)9-8-12(16)2/h4-10,17H,3,11H2,1-2H3,(H,23,26)/b24-20-/t17-/m1/s1
InChIKeyGOFYGJOPHKDCMO-BJUXRVGASA-N
XLogP4.77
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.77
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-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368763
2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9498919
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368867
N-(2-cyanophenyl)-2-[2-(2,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368837
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 21368779
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 21368790
2-[2-(2,5-dimethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368734
N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 1217880
2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 4590729

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 9498884) is N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccccc1F.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is GOFYGJOPHKDCMO-BJUXRVGASA-N. The full InChI is InChI=1S/C20H19ClFN3O2S/c1-3-25-19(27)17(28-20(25)24-15-7-5-4-6-14(15)22)11-18(26)23-16-10-13(21)9-8-12(16)2/h4-10,17H,3,11H2,1-2H3,(H,23,26)/b24-20-/t17-/m1/s1.
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 419.91 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 9498884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).