2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine

C19H20N2O2S — CID 155516497

IUPAC2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2nc3ccncc3s2)c(OCCC2CCOCC2)c1
InChIInChI=1S/C19H20N2O2S/c1-2-4-17(23-12-8-14-6-10-22-11-7-14)15(3-1)19-21-16-5-9-20-13-18(16)24-19/h1-5,9,13-14H,6-8,10-12H2
InChIKeyLKZYYDJOBHNILZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.55
Rot. Bonds5

About 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine

2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 155516497) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID155516497
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2nc3ccncc3s2)c(OCCC2CCOCC2)c1
InChIInChI=1S/C19H20N2O2S/c1-2-4-17(23-12-8-14-6-10-22-11-7-14)15(3-1)19-21-16-5-9-20-13-18(16)24-19/h1-5,9,13-14H,6-8,10-12H2
InChIKeyLKZYYDJOBHNILZ-UHFFFAOYSA-N
XLogP4.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine (CID 155516497) is 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine is c1ccc(-c2nc3ccncc3s2)c(OCCC2CCOCC2)c1.
What is the InChIKey of 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is LKZYYDJOBHNILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-4-17(23-12-8-14-6-10-22-11-7-14)15(3-1)19-21-16-5-9-20-13-18(16)24-19/h1-5,9,13-14H,6-8,10-12H2.
What are the key properties of 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine?
2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 340.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 155516497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).