2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide

C26H24FN3O2S — CID 41242533

IUPAC2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)NCCc1ccccc1
InChIInChI=1S/C26H24FN3O2S/c27-21-13-11-20(12-14-21)18-30-25(32)23(33-26(30)29-22-9-5-2-6-10-22)17-24(31)28-16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,31)/b29-26-/t23-/m0/s1
InChIKeyVVEZVZOKADUQPV-PNJMJVHGSA-N
MW461.56 g/mol
LogP4.71
Rot. Bonds8

About 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide

2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide (PubChem CID 41242533) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
PubChem CID41242533
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC Name2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)NCCc1ccccc1
InChIInChI=1S/C26H24FN3O2S/c27-21-13-11-20(12-14-21)18-30-25(32)23(33-26(30)29-22-9-5-2-6-10-22)17-24(31)28-16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,31)/b29-26-/t23-/m0/s1
InChIKeyVVEZVZOKADUQPV-PNJMJVHGSA-N
XLogP4.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.71
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

2-[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 5108578
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
CID 17382438
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2373063
N-ethyl-2-[(5R)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 7318828
2-(4-chlorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 4277202
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
CID 3659852
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 7323976
N-(2-chlorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244460
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 28748359

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide (CID 41242533) is 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O)NCCc1ccccc1.
What is the InChIKey of 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VVEZVZOKADUQPV-PNJMJVHGSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c27-21-13-11-20(12-14-21)18-30-25(32)23(33-26(30)29-22-9-5-2-6-10-22)17-24(31)28-16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,31)/b29-26-/t23-/m0/s1.
What are the key properties of 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 461.56 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 41242533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).