2-pyridin-3-yloxy-1,3-benzothiazole

C12H8N2OS — CID 3015918

IUPAC2-pyridin-3-yloxy-1,3-benzothiazole
SMILESc1cncc(Oc2nc3ccccc3s2)c1
InChIInChI=1S/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)15-9-4-3-7-13-8-9/h1-8H
InChIKeyTUDRTMMRQNPVLZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.48
Rot. Bonds2

About 2-pyridin-3-yloxy-1,3-benzothiazole

2-pyridin-3-yloxy-1,3-benzothiazole (PubChem CID 3015918) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-pyridin-3-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-pyridin-3-yloxy-1,3-benzothiazole
PubChem CID3015918
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-pyridin-3-yloxy-1,3-benzothiazole
SMILESc1cncc(Oc2nc3ccccc3s2)c1
InChIInChI=1S/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)15-9-4-3-7-13-8-9/h1-8H
InChIKeyTUDRTMMRQNPVLZ-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxy-1,3-benzothiazole?
The IUPAC name of 2-pyridin-3-yloxy-1,3-benzothiazole (CID 3015918) is 2-pyridin-3-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-pyridin-3-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-pyridin-3-yloxy-1,3-benzothiazole is c1cncc(Oc2nc3ccccc3s2)c1.
What is the InChIKey of 2-pyridin-3-yloxy-1,3-benzothiazole?
The InChIKey is TUDRTMMRQNPVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)15-9-4-3-7-13-8-9/h1-8H.
What are the key properties of 2-pyridin-3-yloxy-1,3-benzothiazole?
2-pyridin-3-yloxy-1,3-benzothiazole has a molecular weight of 228.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxy-1,3-benzothiazole is sourced from PubChem (CID 3015918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).