1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione

C9H11N5O3S — CID 62209054

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCCNc1snnc1CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C9H11N5O3S/c1-3-10-6-5(11-12-18-6)4-14-8(16)7(15)13(2)9(14)17/h10H,3-4H2,1-2H3
InChIKeyKCJCXXMCMHLTTM-UHFFFAOYSA-N
MW269.29 g/mol
LogP-0.11
Rot. Bonds4

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

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 62209054) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID62209054
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione
SMILESCCNc1snnc1CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C9H11N5O3S/c1-3-10-6-5(11-12-18-6)4-14-8(16)7(15)13(2)9(14)17/h10H,3-4H2,1-2H3
InChIKeyKCJCXXMCMHLTTM-UHFFFAOYSA-N
XLogP-0.11
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-0.11
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-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione (CID 62209054) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione is CCNc1snnc1CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is KCJCXXMCMHLTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-3-10-6-5(11-12-18-6)4-14-8(16)7(15)13(2)9(14)17/h10H,3-4H2,1-2H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 269.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 62209054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).