5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione

C14H18N2O3S — CID 115945934

IUPAC5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C14H18N2O3S/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)8-7-10-6-5-9-20-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17,19)
InChIKeyQOQGGZCXOMQJRY-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.18
Rot. Bonds5

About 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115945934) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID115945934
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C14H18N2O3S/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)8-7-10-6-5-9-20-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17,19)
InChIKeyQOQGGZCXOMQJRY-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 106040744
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 17019932
(5R)-6,6,8,8-tetramethyl-3-(2-thiophen-2-ylethyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99857059
5,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 106006297
1-[(3-bromothiophen-2-yl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948841
3-ethyl-3-methyl-6-propyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64886050
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185346

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione (CID 115945934) is 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(CCc2cccs2)C1=O.
What is the InChIKey of 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is QOQGGZCXOMQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)8-7-10-6-5-9-20-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17,19).
What are the key properties of 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 294.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115945934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).