2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine

C12H15N3S — CID 65335157

IUPAC2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(C3CCCCCN3)nc2c1
InChIInChI=1S/C12H15N3S/c1-2-5-9(13-7-3-1)12-15-10-6-4-8-14-11(10)16-12/h4,6,8-9,13H,1-3,5,7H2
InChIKeyCQHIUFPJMXLCAD-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.90
Rot. Bonds1

About 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine

2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 65335157) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID65335157
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(C3CCCCCN3)nc2c1
InChIInChI=1S/C12H15N3S/c1-2-5-9(13-7-3-1)12-15-10-6-4-8-14-11(10)16-12/h4,6,8-9,13H,1-3,5,7H2
InChIKeyCQHIUFPJMXLCAD-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 65335157) is 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine is c1cnc2sc(C3CCCCCN3)nc2c1.
What is the InChIKey of 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is CQHIUFPJMXLCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-5-9(13-7-3-1)12-15-10-6-4-8-14-11(10)16-12/h4,6,8-9,13H,1-3,5,7H2.
What are the key properties of 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 233.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 65335157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).