2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

C23H19N3O2S — CID 1243248

IUPAC2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-21(24-17-10-4-1-5-11-17)16-20-22(28)26(19-14-8-3-9-15-19)23(29-20)25-18-12-6-2-7-13-18/h1-15,20H,16H2,(H,24,27)/b25-23-/t20-/m0/s1
InChIKeyQNQVCTTWQMACNC-ZPKJPUMHSA-N
MW401.49 g/mol
LogP4.85
Rot. Bonds5

About 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 1243248) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID1243248
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-21(24-17-10-4-1-5-11-17)16-20-22(28)26(19-14-8-3-9-15-19)23(29-20)25-18-12-6-2-7-13-18/h1-15,20H,16H2,(H,24,27)/b25-23-/t20-/m0/s1
InChIKeyQNQVCTTWQMACNC-ZPKJPUMHSA-N
XLogP4.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.85
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-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
2-[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 17382439
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 4260826
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4127444
4-[[2-[3-(2-hydroxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 17389021
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
CID 17382438
2-[(5S)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 40719882

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 1243248) is 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is QNQVCTTWQMACNC-ZPKJPUMHSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-21(24-17-10-4-1-5-11-17)16-20-22(28)26(19-14-8-3-9-15-19)23(29-20)25-18-12-6-2-7-13-18/h1-15,20H,16H2,(H,24,27)/b25-23-/t20-/m0/s1.
What are the key properties of 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 401.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 1243248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).