5-methoxy-2-pyridin-4-yl-1,3-benzothiazole

C13H10N2OS — CID 12855468

IUPAC5-methoxy-2-pyridin-4-yl-1,3-benzothiazole
SMILESCOc1ccc2sc(-c3ccncc3)nc2c1
InChIInChI=1S/C13H10N2OS/c1-16-10-2-3-12-11(8-10)15-13(17-12)9-4-6-14-7-5-9/h2-8H,1H3
InChIKeyXYQOYIDWMBIXCX-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.37
Rot. Bonds2

About 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole

5-methoxy-2-pyridin-4-yl-1,3-benzothiazole (PubChem CID 12855468) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-methoxy-2-pyridin-4-yl-1,3-benzothiazole
PubChem CID12855468
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-methoxy-2-pyridin-4-yl-1,3-benzothiazole
SMILESCOc1ccc2sc(-c3ccncc3)nc2c1
InChIInChI=1S/C13H10N2OS/c1-16-10-2-3-12-11(8-10)15-13(17-12)9-4-6-14-7-5-9/h2-8H,1H3
InChIKeyXYQOYIDWMBIXCX-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole?
The IUPAC name of 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole (CID 12855468) is 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole?
The canonical SMILES for 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole is COc1ccc2sc(-c3ccncc3)nc2c1.
What is the InChIKey of 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole?
The InChIKey is XYQOYIDWMBIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-16-10-2-3-12-11(8-10)15-13(17-12)9-4-6-14-7-5-9/h2-8H,1H3.
What are the key properties of 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole?
5-methoxy-2-pyridin-4-yl-1,3-benzothiazole has a molecular weight of 242.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 12855468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).