5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

C10H10N4O2S — CID 2771058

IUPAC5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc(OC)c2c1sc1nnc(N)n12
InChIInChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyFSNNMBVVDWKKCB-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.54
Rot. Bonds2

About 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (PubChem CID 2771058) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
PubChem CID2771058
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc(OC)c2c1sc1nnc(N)n12
InChIInChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyFSNNMBVVDWKKCB-UHFFFAOYSA-N
XLogP1.54
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The IUPAC name of 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (CID 2771058) is 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is COc1ccc(OC)c2c1sc1nnc(N)n12.
What is the InChIKey of 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The InChIKey is FSNNMBVVDWKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine has a molecular weight of 250.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 2771058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).