2-pyridin-2-yl-1,3-benzothiazole

C12H8N2S — CID 12856

IUPAC2-pyridin-2-yl-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccccc3s2)nc1
InChIInChI=1S/C12H8N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8H
InChIKeyXSWCYXIBEZMXMM-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.36
Rot. Bonds1

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

2-pyridin-2-yl-1,3-benzothiazole (PubChem CID 12856) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-pyridin-2-yl-1,3-benzothiazole
PubChem CID12856
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name2-pyridin-2-yl-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccccc3s2)nc1
InChIInChI=1S/C12H8N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8H
InChIKeyXSWCYXIBEZMXMM-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,3-benzothiazole?
The IUPAC name of 2-pyridin-2-yl-1,3-benzothiazole (CID 12856) is 2-pyridin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-pyridin-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-pyridin-2-yl-1,3-benzothiazole is c1ccc(-c2nc3ccccc3s2)nc1.
What is the InChIKey of 2-pyridin-2-yl-1,3-benzothiazole?
The InChIKey is XSWCYXIBEZMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8H.
What are the key properties of 2-pyridin-2-yl-1,3-benzothiazole?
2-pyridin-2-yl-1,3-benzothiazole has a molecular weight of 212.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 12856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).