2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid

C10H9N3O5S2 — CID 3499398

IUPAC2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)SC(CC(=O)Nc2nccs2)C1=O
InChIInChI=1S/C10H9N3O5S2/c14-6(12-9-11-1-2-19-9)3-5-8(17)13(4-7(15)16)10(18)20-5/h1-2,5H,3-4H2,(H,15,16)(H,11,12,14)
InChIKeyMMCKQJDWAUYXKX-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.62
Rot. Bonds5

About 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid

2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 3499398) has the molecular formula C10H9N3O5S2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid
PubChem CID3499398
Molecular FormulaC10H9N3O5S2
Molecular Weight315.33 g/mol
Exact Mass315.00
IUPAC Name2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)SC(CC(=O)Nc2nccs2)C1=O
InChIInChI=1S/C10H9N3O5S2/c14-6(12-9-11-1-2-19-9)3-5-8(17)13(4-7(15)16)10(18)20-5/h1-2,5H,3-4H2,(H,15,16)(H,11,12,14)
InChIKeyMMCKQJDWAUYXKX-UHFFFAOYSA-N
XLogP0.62
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3847272
2-[5-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 23762747
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3298328
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]butanoic acid
CID 43473463
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
2-[(2S)-6-(dimethylsulfamoyl)-4-methyl-3-oxo-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92710398
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 5263562
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 40953171
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid (CID 3499398) is 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid is O=C(O)CN1C(=O)SC(CC(=O)Nc2nccs2)C1=O.
What is the InChIKey of 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is MMCKQJDWAUYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S2/c14-6(12-9-11-1-2-19-9)3-5-8(17)13(4-7(15)16)10(18)20-5/h1-2,5H,3-4H2,(H,15,16)(H,11,12,14).
What are the key properties of 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid?
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 3499398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).