2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole

C13H14N2OS — CID 141341183

IUPAC2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole
SMILESc1cc(-c2cnc(C3CCOCC3)s2)ccn1
InChIInChI=1S/C13H14N2OS/c1-5-14-6-2-10(1)12-9-15-13(17-12)11-3-7-16-8-4-11/h1-2,5-6,9,11H,3-4,7-8H2
InChIKeyMJFIYLOJHGQMRD-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.10
Rot. Bonds2

About 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole

2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole (PubChem CID 141341183) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole
PubChem CID141341183
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole
SMILESc1cc(-c2cnc(C3CCOCC3)s2)ccn1
InChIInChI=1S/C13H14N2OS/c1-5-14-6-2-10(1)12-9-15-13(17-12)11-3-7-16-8-4-11/h1-2,5-6,9,11H,3-4,7-8H2
InChIKeyMJFIYLOJHGQMRD-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole (CID 141341183) is 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole is c1cc(-c2cnc(C3CCOCC3)s2)ccn1.
What is the InChIKey of 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole?
The InChIKey is MJFIYLOJHGQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-5-14-6-2-10(1)12-9-15-13(17-12)11-3-7-16-8-4-11/h1-2,5-6,9,11H,3-4,7-8H2.
What are the key properties of 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole?
2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole has a molecular weight of 246.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 141341183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).