[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

C4H4N4S — CID 82467760

IUPAC[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESNc1nnc2sccn12
InChIInChI=1S/C4H4N4S/c5-3-6-7-4-8(3)1-2-9-4/h1-2H,(H2,5,6)
InChIKeyQRQGNFWDYUBNSW-UHFFFAOYSA-N
MW140.17 g/mol
LogP0.37
Rot. Bonds

About [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (PubChem CID 82467760) has the molecular formula C4H4N4S and a molecular weight of 140.17 g/mol. Its IUPAC name is [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.

Molecular Properties

Compound Name[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
PubChem CID82467760
Molecular FormulaC4H4N4S
Molecular Weight140.17 g/mol
Exact Mass140.02
IUPAC Name[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESNc1nnc2sccn12
InChIInChI=1S/C4H4N4S/c5-3-6-7-4-8(3)1-2-9-4/h1-2H,(H2,5,6)
InChIKeyQRQGNFWDYUBNSW-UHFFFAOYSA-N
XLogP0.37
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1,3]thiazolo[2,3-c][1,2,4]triazol-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 [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The IUPAC name of [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (CID 82467760) is [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.
What is the SMILES notation for [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The canonical SMILES for [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is Nc1nnc2sccn12.
What is the InChIKey of [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The InChIKey is QRQGNFWDYUBNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S/c5-3-6-7-4-8(3)1-2-9-4/h1-2H,(H2,5,6).
What are the key properties of [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine has a molecular weight of 140.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is sourced from PubChem (CID 82467760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).