4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide

C12H13N3O3S — CID 9076240

IUPAC4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C12H13N3O3S/c13-11(17)8-1-3-9(4-2-8)14-10(16)7-15-5-6-19-12(15)18/h1-4H,5-7H2,(H2,13,17)(H,14,16)
InChIKeyAKCUCRCHJADWNG-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.89
Rot. Bonds4

About 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide

4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (PubChem CID 9076240) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
PubChem CID9076240
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C12H13N3O3S/c13-11(17)8-1-3-9(4-2-8)14-10(16)7-15-5-6-19-12(15)18/h1-4H,5-7H2,(H2,13,17)(H,14,16)
InChIKeyAKCUCRCHJADWNG-UHFFFAOYSA-N
XLogP0.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 24653661
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614147
2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 47118630
N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 18146222
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 27162002
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 39995775
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26708775

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (CID 9076240) is 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1.
What is the InChIKey of 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The InChIKey is AKCUCRCHJADWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-11(17)8-1-3-9(4-2-8)14-10(16)7-15-5-6-19-12(15)18/h1-4H,5-7H2,(H2,13,17)(H,14,16).
What are the key properties of 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide has a molecular weight of 279.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 9076240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).