5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine

C19H20ClN3OS — CID 131985348

IUPAC5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1nc2ccc(OCC3CCN(Cc4ccccc4)CC3)nc2s1
InChIInChI=1S/C19H20ClN3OS/c20-19-21-16-6-7-17(22-18(16)25-19)24-13-15-8-10-23(11-9-15)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2
InChIKeyQRLHAPLIIJLSHB-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.64
Rot. Bonds5

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

5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131985348) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID131985348
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1nc2ccc(OCC3CCN(Cc4ccccc4)CC3)nc2s1
InChIInChI=1S/C19H20ClN3OS/c20-19-21-16-6-7-17(22-18(16)25-19)24-13-15-8-10-23(11-9-15)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2
InChIKeyQRLHAPLIIJLSHB-UHFFFAOYSA-N
XLogP4.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine (CID 131985348) is 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine is Clc1nc2ccc(OCC3CCN(Cc4ccccc4)CC3)nc2s1.
What is the InChIKey of 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is QRLHAPLIIJLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-19-21-16-6-7-17(22-18(16)25-19)24-13-15-8-10-23(11-9-15)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2.
What are the key properties of 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine?
5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 373.91 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylpiperidin-4-yl)methoxy]-2-chloro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131985348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).