3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine

C11H21N3S2 — CID 103736647

IUPAC3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(CC)(CC)SC)n1
InChIInChI=1S/C11H21N3S2/c1-5-9-13-10(16-14-9)12-8-11(6-2,7-3)15-4/h5-8H2,1-4H3,(H,12,13,14)
InChIKeyRGTIFUKPFGHCSK-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.43
Rot. Bonds7

About 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103736647) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID103736647
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC Name3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC(CC)(CC)SC)n1
InChIInChI=1S/C11H21N3S2/c1-5-9-13-10(16-14-9)12-8-11(6-2,7-3)15-4/h5-8H2,1-4H3,(H,12,13,14)
InChIKeyRGTIFUKPFGHCSK-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-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-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine (CID 103736647) is 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC(CC)(CC)SC)n1.
What is the InChIKey of 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RGTIFUKPFGHCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c1-5-9-13-10(16-14-9)12-8-11(6-2,7-3)15-4/h5-8H2,1-4H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 259.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103736647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).