6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

C18H18ClN3OS — CID 57448346

IUPAC6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
InChIInChI=1S/C18H18ClN3OS/c19-14-10-16-17(20-11-14)21-18(24-16)23-15-6-4-13(5-7-15)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2
InChIKeyVUCBYSIOVDIHHL-UHFFFAOYSA-N
MW359.88 g/mol
LogP5.12
Rot. Bonds4

About 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 57448346) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID57448346
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
InChIInChI=1S/C18H18ClN3OS/c19-14-10-16-17(20-11-14)21-18(24-16)23-15-6-4-13(5-7-15)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2
InChIKeyVUCBYSIOVDIHHL-UHFFFAOYSA-N
XLogP5.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.88
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 57448346) is 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is Clc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1.
What is the InChIKey of 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is VUCBYSIOVDIHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-14-10-16-17(20-11-14)21-18(24-16)23-15-6-4-13(5-7-15)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2.
What are the key properties of 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 359.88 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 57448346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).