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

C8H9N5O3S — CID 55044679

IUPAC1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
SMILESCNc1snnc1CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C8H9N5O3S/c1-9-5-4(10-11-17-5)3-13-7(15)6(14)12(2)8(13)16/h9H,3H2,1-2H3
InChIKeyCPOIZWHEYOZTME-UHFFFAOYSA-N
MW255.26 g/mol
LogP-0.50
Rot. Bonds3

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

1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 55044679) has the molecular formula C8H9N5O3S and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID55044679
Molecular FormulaC8H9N5O3S
Molecular Weight255.26 g/mol
Exact Mass255.04
IUPAC Name1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
SMILESCNc1snnc1CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C8H9N5O3S/c1-9-5-4(10-11-17-5)3-13-7(15)6(14)12(2)8(13)16/h9H,3H2,1-2H3
InChIKeyCPOIZWHEYOZTME-UHFFFAOYSA-N
XLogP-0.50
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-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-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
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
N,N-diethyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046329

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione (CID 55044679) is 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione is CNc1snnc1CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is CPOIZWHEYOZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S/c1-9-5-4(10-11-17-5)3-13-7(15)6(14)12(2)8(13)16/h9H,3H2,1-2H3.
What are the key properties of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione?
1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 255.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 55044679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).