5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione

C11H17N5O2S — CID 55046675

IUPAC5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H17N5O2S/c1-4-5-12-8-7(14-15-19-8)6-16-9(17)11(2,3)13-10(16)18/h12H,4-6H2,1-3H3,(H,13,18)
InChIKeyNREMLBKNBFLBDR-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.19
Rot. Bonds5

About 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55046675) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID55046675
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H17N5O2S/c1-4-5-12-8-7(14-15-19-8)6-16-9(17)11(2,3)13-10(16)18/h12H,4-6H2,1-3H3,(H,13,18)
InChIKeyNREMLBKNBFLBDR-UHFFFAOYSA-N
XLogP1.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Acetyl-5-methyl-3-(4-methyl-1,2,3-thiadiazol-5-yl)imidazolidine-2,4-dione
CID 129875569
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265487
5-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265689
3-[(5-Aminothiadiazol-4-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265690
3-[(5-Hydrazinylthiadiazol-4-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64266099
5-(dimethylcarbamoylamino)-N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 22758961
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
3-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 55044825
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 55046096
N-ethyl-2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]acetamide
CID 55046180
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046232

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 55046675) is 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is CCCNc1snnc1CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is NREMLBKNBFLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-5-12-8-7(14-15-19-8)6-16-9(17)11(2,3)13-10(16)18/h12H,4-6H2,1-3H3,(H,13,18).
What are the key properties of 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 283.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55046675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).