5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

C8H7N5S — CID 82470108

IUPAC5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESNc1nnc2scc(-c3cc[nH]c3)n12
InChIInChI=1S/C8H7N5S/c9-7-11-12-8-13(7)6(4-14-8)5-1-2-10-3-5/h1-4,10H,(H2,9,11)
InChIKeyXYCNAEXGWFCDGK-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.37
Rot. Bonds1

About 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (PubChem CID 82470108) has the molecular formula C8H7N5S and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.

Molecular Properties

Compound Name5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
PubChem CID82470108
Molecular FormulaC8H7N5S
Molecular Weight205.25 g/mol
Exact Mass205.04
IUPAC Name5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESNc1nnc2scc(-c3cc[nH]c3)n12
InChIInChI=1S/C8H7N5S/c9-7-11-12-8-13(7)6(4-14-8)5-1-2-10-3-5/h1-4,10H,(H2,9,11)
InChIKeyXYCNAEXGWFCDGK-UHFFFAOYSA-N
XLogP1.37
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1H-pyrrol-3-yl)-[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 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The IUPAC name of 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (CID 82470108) is 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.
What is the SMILES notation for 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The canonical SMILES for 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is Nc1nnc2scc(-c3cc[nH]c3)n12.
What is the InChIKey of 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The InChIKey is XYCNAEXGWFCDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5S/c9-7-11-12-8-13(7)6(4-14-8)5-1-2-10-3-5/h1-4,10H,(H2,9,11).
What are the key properties of 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine has a molecular weight of 205.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is sourced from PubChem (CID 82470108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).