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

C8H11N5O2S — CID 62207486

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2nnsc2N)C1=O
InChIInChI=1S/C8H11N5O2S/c1-8(2)6(14)13(7(15)10-8)3-4-5(9)16-12-11-4/h3,9H2,1-2H3,(H,10,15)
InChIKeyLAAGNMGEDNQDSN-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.05
Rot. Bonds2

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

3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 62207486) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID62207486
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2nnsc2N)C1=O
InChIInChI=1S/C8H11N5O2S/c1-8(2)6(14)13(7(15)10-8)3-4-5(9)16-12-11-4/h3,9H2,1-2H3,(H,10,15)
InChIKeyLAAGNMGEDNQDSN-UHFFFAOYSA-N
XLogP-0.05
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.05
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
2-[(5-Aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62183872
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]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 62207486) is 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2nnsc2N)C1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LAAGNMGEDNQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-8(2)6(14)13(7(15)10-8)3-4-5(9)16-12-11-4/h3,9H2,1-2H3,(H,10,15).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 241.28 g/mol, XLogP of -0.05, 2 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]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 62207486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).