2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine

C11H14N4S — CID 65335054

IUPAC2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(CN3CCNCC3)nc2c1
InChIInChI=1S/C11H14N4S/c1-2-9-11(13-3-1)16-10(14-9)8-15-6-4-12-5-7-15/h1-3,12H,4-8H2
InChIKeyCEEFZDMPFIYXRZ-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.10
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine

2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 65335054) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID65335054
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(CN3CCNCC3)nc2c1
InChIInChI=1S/C11H14N4S/c1-2-9-11(13-3-1)16-10(14-9)8-15-6-4-12-5-7-15/h1-3,12H,4-8H2
InChIKeyCEEFZDMPFIYXRZ-UHFFFAOYSA-N
XLogP1.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 65335054) is 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine is c1cnc2sc(CN3CCNCC3)nc2c1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is CEEFZDMPFIYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-9-11(13-3-1)16-10(14-9)8-15-6-4-12-5-7-15/h1-3,12H,4-8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 234.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 65335054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).