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

C12H12N2O3S — CID 645418

IUPACN-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)NCc1ccccc1
InChIInChI=1S/C12H12N2O3S/c15-10(7-14-11(16)8-18-12(14)17)13-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)
InChIKeyKOMINFWQPZBCPC-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.00
Rot. Bonds4

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

N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 645418) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID645418
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)NCc1ccccc1
InChIInChI=1S/C12H12N2O3S/c15-10(7-14-11(16)8-18-12(14)17)13-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)
InChIKeyKOMINFWQPZBCPC-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
1-Benzylimidazolidine-2,4,5-trione
CID 562619
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
2-(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 1873399
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
CID 3640249
N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
[2-[[2-(Dimethylamino)-2-phenylethyl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 16312302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (CID 645418) is N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1C(=O)CSC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KOMINFWQPZBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10(7-14-11(16)8-18-12(14)17)13-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15).
What are the key properties of N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 645418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).