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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Related Compounds

S-2-(o-toluidino)-2-oxoethyl carbamothioate
CID 224667
5-{[4-(Dimethylamino)phenyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1641793
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
3-(2-Aminoethyl)-5-(4-(dimethylamino)benzylidene)thiazolidine-2,4-dione
CID 2329349
(2S)-N-[(2S)-1-(3-methylanilino)-1-oxo-7-sulfanylheptan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 118721860
Me-D-Pyr-Nle(MeSH)-NHPh(3-Me)
CID 118721862
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
2-(azepan-1-yl)-N-(3-methylphenyl)acetamide
CID 1537229
Ethyl 2-(2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)acetate
CID 3155753
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 8158736

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).