5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine

C6H12N4S — CID 82411773

IUPAC5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)CCc1nc(N)ns1
InChIInChI=1S/C6H12N4S/c1-10(2)4-3-5-8-6(7)9-11-5/h3-4H2,1-2H3,(H2,7,9)
InChIKeyOXNMDTQLZKSFHK-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.22
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine

5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine (PubChem CID 82411773) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine
PubChem CID82411773
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)CCc1nc(N)ns1
InChIInChI=1S/C6H12N4S/c1-10(2)4-3-5-8-6(7)9-11-5/h3-4H2,1-2H3,(H2,7,9)
InChIKeyOXNMDTQLZKSFHK-UHFFFAOYSA-N
XLogP0.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-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 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine (CID 82411773) is 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine is CN(C)CCc1nc(N)ns1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is OXNMDTQLZKSFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-10(2)4-3-5-8-6(7)9-11-5/h3-4H2,1-2H3,(H2,7,9).
What are the key properties of 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine?
5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine has a molecular weight of 172.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 82411773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).