8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

C9H7N3OS — CID 13473717

IUPAC8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILESCOc1cccc2sc3nncn3c12
InChIInChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3
InChIKeyGAZBYHNTJJLBRO-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.95
Rot. Bonds1

About 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (PubChem CID 13473717) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.

Molecular Properties

Compound Name8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
PubChem CID13473717
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILESCOc1cccc2sc3nncn3c12
InChIInChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3
InChIKeyGAZBYHNTJJLBRO-UHFFFAOYSA-N
XLogP1.95
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The IUPAC name of 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CID 13473717) is 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
What is the SMILES notation for 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The canonical SMILES for 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is COc1cccc2sc3nncn3c12.
What is the InChIKey of 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The InChIKey is GAZBYHNTJJLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-13-6-3-2-4-7-8(6)12-5-10-11-9(12)14-7/h2-5H,1H3.
What are the key properties of 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole has a molecular weight of 205.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is sourced from PubChem (CID 13473717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).