5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione

C15H16N4O2S — CID 119035519

IUPAC5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2nnc(C)s2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C15H16N4O2S/c1-3-18-12(9-11-7-5-4-6-8-11)13(20)19(15(18)21)14-17-16-10(2)22-14/h4-8,12H,3,9H2,1-2H3
InChIKeyQSGWFWHYQVOIJW-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.25
Rot. Bonds4

About 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione

5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione (PubChem CID 119035519) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
PubChem CID119035519
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2nnc(C)s2)C(=O)C1Cc1ccccc1
InChIInChI=1S/C15H16N4O2S/c1-3-18-12(9-11-7-5-4-6-8-11)13(20)19(15(18)21)14-17-16-10(2)22-14/h4-8,12H,3,9H2,1-2H3
InChIKeyQSGWFWHYQVOIJW-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione (CID 119035519) is 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione is CCN1C(=O)N(c2nnc(C)s2)C(=O)C1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is QSGWFWHYQVOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-3-18-12(9-11-7-5-4-6-8-11)13(20)19(15(18)21)14-17-16-10(2)22-14/h4-8,12H,3,9H2,1-2H3.
What are the key properties of 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione?
5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 316.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 119035519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).