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

C9H7N3OS — CID 21392802

IUPAC1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILESCOc1nnc2sc3ccccc3n12
InChIInChI=1S/C9H7N3OS/c1-13-8-10-11-9-12(8)6-4-2-3-5-7(6)14-9/h2-5H,1H3
InChIKeyZVGZKYTWYZALKG-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.95
Rot. Bonds1

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

1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (PubChem CID 21392802) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
PubChem CID21392802
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILESCOc1nnc2sc3ccccc3n12
InChIInChI=1S/C9H7N3OS/c1-13-8-10-11-9-12(8)6-4-2-3-5-7(6)14-9/h2-5H,1H3
InChIKeyZVGZKYTWYZALKG-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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Related Compounds

1-(1,1-dimethoxypropan-2-ylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 126825926
1-(chloromethyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 21392799
2-methyl-1-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)propan-1-amine
CID 82023909
dimethyl-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethyl]azanium
CID 4295804
1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 14925903
1-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
CID 982880
methyl 3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)cyclobutane-1-carboxylate
CID 126835209
1,2-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 70385132
(1R)-1-(3-methoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanol
CID 95933477
1-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 39801931
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoic acid
CID 2772437
N-methyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 35717887

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The IUPAC name of 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CID 21392802) is 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
What is the SMILES notation for 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The canonical SMILES for 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is COc1nnc2sc3ccccc3n12.
What is the InChIKey of 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The InChIKey is ZVGZKYTWYZALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-13-8-10-11-9-12(8)6-4-2-3-5-7(6)14-9/h2-5H,1H3.
What are the key properties of 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
1-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 1-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is sourced from PubChem (CID 21392802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).