N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide

C21H23N3O2S — CID 135691431

IUPACN-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3ccccc3)NC2=O)c1
InChIInChI=1S/C21H23N3O2S/c1-13-9-10-14(2)17(11-13)23-19(25)12-18-20(26)24-21(27-18)22-15(3)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3,(H,23,25)(H,22,24,26)/t15-,18+/m1/s1
InChIKeyOCLZJWUZUMCLMC-QAPCUYQASA-N
MW381.50 g/mol
LogP3.98
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691431) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691431
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3ccccc3)NC2=O)c1
InChIInChI=1S/C21H23N3O2S/c1-13-9-10-14(2)17(11-13)23-19(25)12-18-20(26)24-21(27-18)22-15(3)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3,(H,23,25)(H,22,24,26)/t15-,18+/m1/s1
InChIKeyOCLZJWUZUMCLMC-QAPCUYQASA-N
XLogP3.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.98
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-(2,5-dimethylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691430
N-(4-methylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691400
N-(3-chloro-4-methylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135775034
N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691402
N-(2,5-dimethylphenyl)-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135641404
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 135691905
N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704953
2-[(5S)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 135691661
2-[(5S)-2-[(R)-[4-(dimethylamino)phenyl]-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 136915711
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768
N-(2-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692170

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide (CID 135691431) is N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/[C@H](C)c3ccccc3)NC2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is OCLZJWUZUMCLMC-QAPCUYQASA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-9-10-14(2)17(11-13)23-19(25)12-18-20(26)24-21(27-18)22-15(3)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3,(H,23,25)(H,22,24,26)/t15-,18+/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).