3-butyl-1,2,4-thiadiazol-5-amine

C6H11N3S — CID 23331283

IUPAC3-butyl-1,2,4-thiadiazol-5-amine
SMILESCCCCc1nsc(N)n1
InChIInChI=1S/C6H11N3S/c1-2-3-4-5-8-6(7)10-9-5/h2-4H2,1H3,(H2,7,8,9)
InChIKeyXDXMVKLZAWFAMX-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.46
Rot. Bonds3

About 3-butyl-1,2,4-thiadiazol-5-amine

3-butyl-1,2,4-thiadiazol-5-amine (PubChem CID 23331283) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-butyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-butyl-1,2,4-thiadiazol-5-amine
PubChem CID23331283
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name3-butyl-1,2,4-thiadiazol-5-amine
SMILESCCCCc1nsc(N)n1
InChIInChI=1S/C6H11N3S/c1-2-3-4-5-8-6(7)10-9-5/h2-4H2,1H3,(H2,7,8,9)
InChIKeyXDXMVKLZAWFAMX-UHFFFAOYSA-N
XLogP1.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-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-butyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-butyl-1,2,4-thiadiazol-5-amine (CID 23331283) is 3-butyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-butyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-butyl-1,2,4-thiadiazol-5-amine is CCCCc1nsc(N)n1.
What is the InChIKey of 3-butyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XDXMVKLZAWFAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-3-4-5-8-6(7)10-9-5/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of 3-butyl-1,2,4-thiadiazol-5-amine?
3-butyl-1,2,4-thiadiazol-5-amine has a molecular weight of 157.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 23331283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).