3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

C8H8N2O2S — CID 22009569

IUPAC3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1cccs1
InChIInChI=1S/C8H8N2O2S/c11-7-4-9-8(12)10(7)5-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,12)
InChIKeyBLCMKZYWDRHIKY-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.80
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 22009569) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID22009569
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1cccs1
InChIInChI=1S/C8H8N2O2S/c11-7-4-9-8(12)10(7)5-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,12)
InChIKeyBLCMKZYWDRHIKY-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione (CID 22009569) is 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BLCMKZYWDRHIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-7-4-9-8(12)10(7)5-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,12).
What are the key properties of 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 196.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22009569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).