4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid

C10H11N3O4S — CID 114007854

IUPAC4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(N2C(=O)CNC2=O)n1
InChIInChI=1S/C10H11N3O4S/c14-7-4-11-9(17)13(7)10-12-6(5-18-10)2-1-3-8(15)16/h5H,1-4H2,(H,11,17)(H,15,16)
InChIKeyWOOKVPXZEZGNKU-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.61
Rot. Bonds5

About 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid

4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 114007854) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
PubChem CID114007854
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(N2C(=O)CNC2=O)n1
InChIInChI=1S/C10H11N3O4S/c14-7-4-11-9(17)13(7)10-12-6(5-18-10)2-1-3-8(15)16/h5H,1-4H2,(H,11,17)(H,15,16)
InChIKeyWOOKVPXZEZGNKU-UHFFFAOYSA-N
XLogP0.61
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80656687
4-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-4-yl]butanoic acid
CID 103979360
4-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80655752
3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487569
3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 168704039
4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 83193718
4-[2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656279
3-[2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487968
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
CID 114007858
3-[2-(3,3-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103488147

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid (CID 114007854) is 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(N2C(=O)CNC2=O)n1.
What is the InChIKey of 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is WOOKVPXZEZGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c14-7-4-11-9(17)13(7)10-12-6(5-18-10)2-1-3-8(15)16/h5H,1-4H2,(H,11,17)(H,15,16).
What are the key properties of 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 269.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 114007854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).