3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C9H13N5O2S — CID 62208688

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nnsc2N)C1=O
InChIInChI=1S/C9H13N5O2S/c1-3-9(2)7(15)14(8(16)11-9)4-5-6(10)17-13-12-5/h3-4,10H2,1-2H3,(H,11,16)
InChIKeyVRRONRHXFUHABZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.34
Rot. Bonds3

About 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 62208688) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID62208688
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nnsc2N)C1=O
InChIInChI=1S/C9H13N5O2S/c1-3-9(2)7(15)14(8(16)11-9)4-5-6(10)17-13-12-5/h3-4,10H2,1-2H3,(H,11,16)
InChIKeyVRRONRHXFUHABZ-UHFFFAOYSA-N
XLogP0.34
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.34
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

3-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43407959
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
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43407963
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
3-[(5-Aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55046336
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046622
5,5-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046675
1-[(5-Aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 62194699
5-Ethyl-5-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207144

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 62208688) is 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(Cc2nnsc2N)C1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is VRRONRHXFUHABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-3-9(2)7(15)14(8(16)11-9)4-5-6(10)17-13-12-5/h3-4,10H2,1-2H3,(H,11,16).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 255.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 62208688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).