5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione

C8H7N3O2S — CID 143512545

IUPAC5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#CC2NC=CS2)N1
InChIInChI=1S/C8H7N3O2S/c12-7-5(10-8(13)11-7)1-2-6-9-3-4-14-6/h3-6,9H,(H2,10,11,12,13)
InChIKeyDYNSOUBKZPKLRI-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.67
Rot. Bonds

About 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione

5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 143512545) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione
PubChem CID143512545
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#CC2NC=CS2)N1
InChIInChI=1S/C8H7N3O2S/c12-7-5(10-8(13)11-7)1-2-6-9-3-4-14-6/h3-6,9H,(H2,10,11,12,13)
InChIKeyDYNSOUBKZPKLRI-UHFFFAOYSA-N
XLogP-0.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione (CID 143512545) is 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C#CC2NC=CS2)N1.
What is the InChIKey of 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione?
The InChIKey is DYNSOUBKZPKLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-7-5(10-8(13)11-7)1-2-6-9-3-4-14-6/h3-6,9H,(H2,10,11,12,13).
What are the key properties of 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione?
5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 209.23 g/mol, XLogP of -0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1,3-thiazol-2-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143512545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).