3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine

C4H7N5S — CID 21107804

IUPAC3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine
SMILESNC1=CSC2=NN(N)CN12
InChIInChI=1S/C4H7N5S/c5-3-1-10-4-7-9(6)2-8(3)4/h1H,2,5-6H2
InChIKeyLPSNGBFUOMUGFK-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.79
Rot. Bonds

About 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine

3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine (PubChem CID 21107804) has the molecular formula C4H7N5S and a molecular weight of 157.20 g/mol. Its IUPAC name is 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine.

Molecular Properties

Compound Name3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine
PubChem CID21107804
Molecular FormulaC4H7N5S
Molecular Weight157.20 g/mol
Exact Mass157.04
IUPAC Name3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine
SMILESNC1=CSC2=NN(N)CN12
InChIInChI=1S/C4H7N5S/c5-3-1-10-4-7-9(6)2-8(3)4/h1H,2,5-6H2
InChIKeyLPSNGBFUOMUGFK-UHFFFAOYSA-N
XLogP-0.79
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine 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 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine?
The IUPAC name of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine (CID 21107804) is 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine.
What is the SMILES notation for 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine?
The canonical SMILES for 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine is NC1=CSC2=NN(N)CN12.
What is the InChIKey of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine?
The InChIKey is LPSNGBFUOMUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5S/c5-3-1-10-4-7-9(6)2-8(3)4/h1H,2,5-6H2.
What are the key properties of 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine?
3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine has a molecular weight of 157.20 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,3]thiazolo[2,3-c][1,2,4]triazole-2,5-diamine is sourced from PubChem (CID 21107804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).