ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate

C7H10N2O2S — CID 67486941

IUPACethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C)ns1
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)4-6-8-5(2)9-12-6/h3-4H2,1-2H3
InChIKeyBHXGSJHGWHYMMY-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.95
Rot. Bonds3

About ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate

ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate (PubChem CID 67486941) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate
PubChem CID67486941
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C)ns1
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)4-6-8-5(2)9-12-6/h3-4H2,1-2H3
InChIKeyBHXGSJHGWHYMMY-UHFFFAOYSA-N
XLogP0.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate 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 ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate (CID 67486941) is ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate is CCOC(=O)Cc1nc(C)ns1.
What is the InChIKey of ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
The InChIKey is BHXGSJHGWHYMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-11-7(10)4-6-8-5(2)9-12-6/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate has a molecular weight of 186.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate is sourced from PubChem (CID 67486941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).