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

C18H19N3OS — CID 57448310

IUPAC2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1cc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2cn1
InChIInChI=1S/C18H19N3OS/c1-2-10-21(11-3-1)13-14-4-6-15(7-5-14)22-18-20-16-8-9-19-12-17(16)23-18/h4-9,12H,1-3,10-11,13H2
InChIKeyBHZUPLNMJWOMNG-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.47
Rot. Bonds4

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

2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 57448310) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID57448310
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1cc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2cn1
InChIInChI=1S/C18H19N3OS/c1-2-10-21(11-3-1)13-14-4-6-15(7-5-14)22-18-20-16-8-9-19-12-17(16)23-18/h4-9,12H,1-3,10-11,13H2
InChIKeyBHZUPLNMJWOMNG-UHFFFAOYSA-N
XLogP4.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine (CID 57448310) is 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine is c1cc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2cn1.
What is the InChIKey of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is BHZUPLNMJWOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-10-21(11-3-1)13-14-4-6-15(7-5-14)22-18-20-16-8-9-19-12-17(16)23-18/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine?
2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 325.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 57448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).