1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione

C8H11N5O2S — CID 62209063

IUPAC1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCNc1snnc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H11N5O2S/c1-9-7-5(10-11-16-7)3-13-6(14)4-12(2)8(13)15/h9H,3-4H2,1-2H3
InChIKeyROLOPXQGQLOPCO-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.03
Rot. Bonds3

About 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione

1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 62209063) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID62209063
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCNc1snnc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H11N5O2S/c1-9-7-5(10-11-16-7)3-13-6(14)4-12(2)8(13)15/h9H,3-4H2,1-2H3
InChIKeyROLOPXQGQLOPCO-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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
5-Fluoro-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557395
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63557396
5-Fluoro-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557397
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
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
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
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 55046322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 62209063) is 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is CNc1snnc1CN1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is ROLOPXQGQLOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-9-7-5(10-11-16-7)3-13-6(14)4-12(2)8(13)15/h9H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 241.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62209063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).