2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid

C10H8N2O5S — CID 21480801

IUPAC2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C10H8N2O5S/c13-7(14)5-12-9(16)8(15)11(10(12)17)4-6-2-1-3-18-6/h1-3H,4-5H2,(H,13,14)
InChIKeyKXFMEEKBXKIWGN-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.12
Rot. Bonds4

About 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid

2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid (PubChem CID 21480801) has the molecular formula C10H8N2O5S and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid
PubChem CID21480801
Molecular FormulaC10H8N2O5S
Molecular Weight268.25 g/mol
Exact Mass268.02
IUPAC Name2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C10H8N2O5S/c13-7(14)5-12-9(16)8(15)11(10(12)17)4-6-2-1-3-18-6/h1-3H,4-5H2,(H,13,14)
InChIKeyKXFMEEKBXKIWGN-UHFFFAOYSA-N
XLogP0.12
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 17407874
1-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 25362620
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
2-[5-(carboxymethyl)-3,6-dioxo-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-2-yl]acetic acid
CID 132564005
2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3491079
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 2574513
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 26491115
2-[3-[(4-nitrophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 2767617

Frequently Asked Questions

What is the IUPAC name of 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid (CID 21480801) is 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O.
What is the InChIKey of 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid?
The InChIKey is KXFMEEKBXKIWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5S/c13-7(14)5-12-9(16)8(15)11(10(12)17)4-6-2-1-3-18-6/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid?
2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid has a molecular weight of 268.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid is sourced from PubChem (CID 21480801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).