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

C12H13N3O3S — CID 47118630

IUPAC2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCSC1=O
InChIInChI=1S/C12H13N3O3S/c13-11(17)8-3-1-2-4-9(8)14-10(16)7-15-5-6-19-12(15)18/h1-4H,5-7H2,(H2,13,17)(H,14,16)
InChIKeyWOQVIPMZOJWKDF-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.89
Rot. Bonds4

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

2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (PubChem CID 47118630) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
PubChem CID47118630
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCSC1=O
InChIInChI=1S/C12H13N3O3S/c13-11(17)8-3-1-2-4-9(8)14-10(16)7-15-5-6-19-12(15)18/h1-4H,5-7H2,(H2,13,17)(H,14,16)
InChIKeyWOQVIPMZOJWKDF-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

N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
[2-(2-acetylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632168
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003621
N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 46485457
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26708775
3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614147
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003516
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27860722

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (CID 47118630) is 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCSC1=O.
What is the InChIKey of 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The InChIKey is WOQVIPMZOJWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-11(17)8-3-1-2-4-9(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 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
2-[[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 2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 47118630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).