2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

C22H19N3O2S — CID 135692255

IUPAC2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O2S/c26-20(24-18-11-10-16-8-4-5-9-17(16)12-18)13-19-21(27)25-22(28-19)23-14-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,24,26)(H,23,25,27)/t19-/m0/s1
InChIKeyZRJWYVFVCOZTDP-IBGZPJMESA-N
MW389.48 g/mol
LogP3.96
Rot. Bonds5

About 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 135692255) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID135692255
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O2S/c26-20(24-18-11-10-16-8-4-5-9-17(16)12-18)13-19-21(27)25-22(28-19)23-14-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,24,26)(H,23,25,27)/t19-/m0/s1
InChIKeyZRJWYVFVCOZTDP-IBGZPJMESA-N
XLogP3.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618393
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135836355
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135691888
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135725322
N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927454
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135797709
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 135535538
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 135692255) is 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is ZRJWYVFVCOZTDP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(24-18-11-10-16-8-4-5-9-17(16)12-18)13-19-21(27)25-22(28-19)23-14-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,24,26)(H,23,25,27)/t19-/m0/s1.
What are the key properties of 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 389.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 135692255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).