3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione

C8H10N4O2S2 — CID 62207092

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCNc1snnc1CN1C(=O)CSC1=O
InChIInChI=1S/C8H10N4O2S2/c1-2-9-7-5(10-11-16-7)3-12-6(13)4-15-8(12)14/h9H,2-4H2,1H3
InChIKeySDKSVSCQULTQGG-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.17
Rot. Bonds4

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

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 62207092) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID62207092
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCNc1snnc1CN1C(=O)CSC1=O
InChIInChI=1S/C8H10N4O2S2/c1-2-9-7-5(10-11-16-7)3-12-6(13)4-15-8(12)14/h9H,2-4H2,1H3
InChIKeySDKSVSCQULTQGG-UHFFFAOYSA-N
XLogP1.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione 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 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 62207092) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione is CCNc1snnc1CN1C(=O)CSC1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is SDKSVSCQULTQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-2-9-7-5(10-11-16-7)3-12-6(13)4-15-8(12)14/h9H,2-4H2,1H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 258.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 62207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).