N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

C21H22N4O2S — CID 137206935

IUPACN-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCCC(=NN=C1NC(=O)[C@H](CC(=O)NCc2ccccc2)S1)c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-2-17(16-11-7-4-8-12-16)24-25-21-23-20(27)18(28-21)13-19(26)22-14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3,(H,22,26)(H,23,25,27)/t18-/m0/s1
InChIKeyLXNYYIAMRCFMPJ-SFHVURJKSA-N
MW394.50 g/mol
LogP3.09
Rot. Bonds7

About N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide

N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 137206935) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
PubChem CID137206935
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
SMILESCCC(=NN=C1NC(=O)[C@H](CC(=O)NCc2ccccc2)S1)c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-2-17(16-11-7-4-8-12-16)24-25-21-23-20(27)18(28-21)13-19(26)22-14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3,(H,22,26)(H,23,25,27)/t18-/m0/s1
InChIKeyLXNYYIAMRCFMPJ-SFHVURJKSA-N
XLogP3.09
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
N-ethyl-2-[4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172942517
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135922742
2-[(2E,5S)-2-[(Z)-1-(3-acetamidophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 135659652
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395
N-(2,3-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828396
N-(3-acetylphenyl)-2-[(2Z)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135426361

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide (CID 137206935) is N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is CCC(=NN=C1NC(=O)[C@H](CC(=O)NCc2ccccc2)S1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is LXNYYIAMRCFMPJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-17(16-11-7-4-8-12-16)24-25-21-23-20(27)18(28-21)13-19(26)22-14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3,(H,22,26)(H,23,25,27)/t18-/m0/s1.
What are the key properties of N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 137206935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).