3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

C11H11N3O3S — CID 43376184

IUPAC3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2C(=O)CSC2=O)c(N)c1
InChIInChI=1S/C11H11N3O3S/c12-8-3-6(10(13)16)1-2-7(8)4-14-9(15)5-18-11(14)17/h1-3H,4-5,12H2,(H2,13,16)
InChIKeyVBPLIPOALBFLST-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.56
Rot. Bonds3

About 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (PubChem CID 43376184) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
PubChem CID43376184
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2C(=O)CSC2=O)c(N)c1
InChIInChI=1S/C11H11N3O3S/c12-8-3-6(10(13)16)1-2-7(8)4-14-9(15)5-18-11(14)17/h1-3H,4-5,12H2,(H2,13,16)
InChIKeyVBPLIPOALBFLST-UHFFFAOYSA-N
XLogP0.56
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 63103190
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
methyl 2-amino-6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
CID 104824888
3-amino-4-(methylsulfinylmethyl)benzamide
CID 61289265
2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 87421132
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509
3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
CID 62089139
3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3157072

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (CID 43376184) is 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is NC(=O)c1ccc(CN2C(=O)CSC2=O)c(N)c1.
What is the InChIKey of 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The InChIKey is VBPLIPOALBFLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-8-3-6(10(13)16)1-2-7(8)4-14-9(15)5-18-11(14)17/h1-3H,4-5,12H2,(H2,13,16).
What are the key properties of 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide has a molecular weight of 265.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 43376184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).