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

C12H12N2O3S — CID 3155225

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)CSC2=O)c1
InChIInChI=1S/C12H12N2O3S/c1-8-3-2-4-9(5-8)13-10(15)6-14-11(16)7-18-12(14)17/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyYIVSBTMUXAQNDI-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.63
Rot. Bonds3

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

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 3155225) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID3155225
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)CSC2=O)c1
InChIInChI=1S/C12H12N2O3S/c1-8-3-2-4-9(5-8)13-10(15)6-14-11(16)7-18-12(14)17/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyYIVSBTMUXAQNDI-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide (CID 3155225) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)CSC2=O)c1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is YIVSBTMUXAQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-8-3-2-4-9(5-8)13-10(15)6-14-11(16)7-18-12(14)17/h2-5H,6-7H2,1H3,(H,13,15).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3155225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).