3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine

C6H11N3O2S — CID 19076669

IUPAC3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOC(Cc1nsc(N)n1)OC
InChIInChI=1S/C6H11N3O2S/c1-10-5(11-2)3-4-8-6(7)12-9-4/h5H,3H2,1-2H3,(H2,7,8,9)
InChIKeyWKCHSIQJUMKHMJ-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.28
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine

3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 19076669) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID19076669
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOC(Cc1nsc(N)n1)OC
InChIInChI=1S/C6H11N3O2S/c1-10-5(11-2)3-4-8-6(7)12-9-4/h5H,3H2,1-2H3,(H2,7,8,9)
InChIKeyWKCHSIQJUMKHMJ-UHFFFAOYSA-N
XLogP0.28
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine 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-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine (CID 19076669) is 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine is COC(Cc1nsc(N)n1)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WKCHSIQJUMKHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-10-5(11-2)3-4-8-6(7)12-9-4/h5H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 189.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 19076669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).