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

C12H12N2O3S — CID 648786

IUPAC3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide
SMILESO=C(CCN1C(=O)CSC1=O)Nc1ccccc1
InChIInChI=1S/C12H12N2O3S/c15-10(13-9-4-2-1-3-5-9)6-7-14-11(16)8-18-12(14)17/h1-5H,6-8H2,(H,13,15)
InChIKeySENCYZOJHGWZEF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.71
Rot. Bonds4

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

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide (PubChem CID 648786) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide
PubChem CID648786
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide
SMILESO=C(CCN1C(=O)CSC1=O)Nc1ccccc1
InChIInChI=1S/C12H12N2O3S/c15-10(13-9-4-2-1-3-5-9)6-7-14-11(16)8-18-12(14)17/h1-5H,6-8H2,(H,13,15)
InChIKeySENCYZOJHGWZEF-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 790557
6-(2-mercaptoacetamido)-N-phenylhexanamide
CID 11437457
3-Phenyl-2,4-thiazolidinedione
CID 221043
3-[4-(Dimethylamino)phenyl]-5-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 2919611
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571916
2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide
CID 585653
S-(3-anilino-3-oxopropyl) ethanethioate
CID 891011
[(2S,4S)-4-Anilinopyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
CID 44422475
3-[(2-Aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride
CID 17369996
3-(4-Fluorophenyl)-2,4-thiazolidinedione
CID 320955

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide (CID 648786) is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide is O=C(CCN1C(=O)CSC1=O)Nc1ccccc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide?
The InChIKey is SENCYZOJHGWZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10(13-9-4-2-1-3-5-9)6-7-14-11(16)8-18-12(14)17/h1-5H,6-8H2,(H,13,15).
What are the key properties of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide?
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide has a molecular weight of 264.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 648786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).