2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C23H24ClFN4O3S — CID 25362043

IUPAC2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)N(CCN2CCOCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H24ClFN4O3S/c24-18-14-17(6-7-19(18)25)27-23-29(9-8-28-10-12-32-13-11-28)22(31)20(33-23)15-21(30)26-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,26,30)/b27-23-/t20-/m0/s1
InChIKeyCKXYNXWBJXSRRE-XSMOSBQLSA-N
MW490.99 g/mol
LogP3.77
Rot. Bonds7

About 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 25362043) has the molecular formula C23H24ClFN4O3S and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID25362043
Molecular FormulaC23H24ClFN4O3S
Molecular Weight490.99 g/mol
Exact Mass490.12
IUPAC Name2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)N(CCN2CCOCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H24ClFN4O3S/c24-18-14-17(6-7-19(18)25)27-23-29(9-8-28-10-12-32-13-11-28)22(31)20(33-23)15-21(30)26-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,26,30)/b27-23-/t20-/m0/s1
InChIKeyCKXYNXWBJXSRRE-XSMOSBQLSA-N
XLogP3.77
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 53.77
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

N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 5200597
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 3950474
2-[3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4664432
2-[(5S)-2-(4-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 32522723
N-(3-chloro-2-methylphenyl)-2-[(5S)-3-(3-morpholin-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 26860216
2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2385516
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-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
2-[(5S)-2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26916396
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 25362043) is 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(C[C@@H]1S/C(=N\c2ccc(F)c(Cl)c2)N(CCN2CCOCC2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is CKXYNXWBJXSRRE-XSMOSBQLSA-N. The full InChI is InChI=1S/C23H24ClFN4O3S/c24-18-14-17(6-7-19(18)25)27-23-29(9-8-28-10-12-32-13-11-28)22(31)20(33-23)15-21(30)26-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H,26,30)/b27-23-/t20-/m0/s1.
What are the key properties of 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 490.99 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(3-chloro-4-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 25362043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).