3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C9H12N4S — CID 82166594

IUPAC3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1cn2c(C3CCNCC3)nnc2s1
InChIInChI=1S/C9H12N4S/c1-3-10-4-2-7(1)8-11-12-9-13(8)5-6-14-9/h5-7,10H,1-4H2
InChIKeyBIAISBOMZJSAGU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.26
Rot. Bonds1

About 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 82166594) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID82166594
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1cn2c(C3CCNCC3)nnc2s1
InChIInChI=1S/C9H12N4S/c1-3-10-4-2-7(1)8-11-12-9-13(8)5-6-14-9/h5-7,10H,1-4H2
InChIKeyBIAISBOMZJSAGU-UHFFFAOYSA-N
XLogP1.26
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole 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-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 82166594) is 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole is c1cn2c(C3CCNCC3)nnc2s1.
What is the InChIKey of 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is BIAISBOMZJSAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-3-10-4-2-7(1)8-11-12-9-13(8)5-6-14-9/h5-7,10H,1-4H2.
What are the key properties of 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 208.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 82166594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).