N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

C13H14N2O3S — CID 2887565

IUPACN-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=O)NC2=O)c(C)c1
InChIInChI=1S/C13H14N2O3S/c1-7-3-4-9(8(2)5-7)14-11(16)6-10-12(17)15-13(18)19-10/h3-5,10H,6H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKeyNQSHZUIGMUVMCQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.98
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2887565) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID2887565
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=O)NC2=O)c(C)c1
InChIInChI=1S/C13H14N2O3S/c1-7-3-4-9(8(2)5-7)14-11(16)6-10-12(17)15-13(18)19-10/h3-5,10H,6H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKeyNQSHZUIGMUVMCQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (CID 2887565) is N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is Cc1ccc(NC(=O)CC2SC(=O)NC2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is NQSHZUIGMUVMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-3-4-9(8(2)5-7)14-11(16)6-10-12(17)15-13(18)19-10/h3-5,10H,6H2,1-2H3,(H,14,16)(H,15,17,18).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2887565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).