N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C13H16N2O2S — CID 9069845

IUPACN-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCSC2=O)c1C
InChIInChI=1S/C13H16N2O2S/c1-9-4-3-5-11(10(9)2)14-12(16)8-15-6-7-18-13(15)17/h3-5H,6-8H2,1-2H3,(H,14,16)
InChIKeySRVJWECFMZLEQE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.41
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9069845) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9069845
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCSC2=O)c1C
InChIInChI=1S/C13H16N2O2S/c1-9-4-3-5-11(10(9)2)14-12(16)8-15-6-7-18-13(15)17/h3-5H,6-8H2,1-2H3,(H,14,16)
InChIKeySRVJWECFMZLEQE-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 47118630
N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 46485457
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2-methyl-3-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18097679
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
N-(2,3-dimethylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063688
N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 18146222
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 35807274
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 46639453

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9069845) is N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1cccc(NC(=O)CN2CCSC2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is SRVJWECFMZLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-4-3-5-11(10(9)2)14-12(16)8-15-6-7-18-13(15)17/h3-5H,6-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9069845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).