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

C15H16N4S — CID 82166755

IUPAC5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(-c2csc3nnc(C4CCNCC4)n23)cc1
InChIInChI=1S/C15H16N4S/c1-2-4-11(5-3-1)13-10-20-15-18-17-14(19(13)15)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2
InChIKeyCMZNZIBHGXESLP-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.92
Rot. Bonds2

About 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole

5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 82166755) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID82166755
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(-c2csc3nnc(C4CCNCC4)n23)cc1
InChIInChI=1S/C15H16N4S/c1-2-4-11(5-3-1)13-10-20-15-18-17-14(19(13)15)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2
InChIKeyCMZNZIBHGXESLP-UHFFFAOYSA-N
XLogP2.92
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 82166755) is 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole is c1ccc(-c2csc3nnc(C4CCNCC4)n23)cc1.
What is the InChIKey of 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is CMZNZIBHGXESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-4-11(5-3-1)13-10-20-15-18-17-14(19(13)15)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2.
What are the key properties of 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 284.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 82166755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).