5,7-dimethoxy-1,3-benzothiazol-2-amine

C9H10N2O2S — CID 23056771

IUPAC5,7-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2sc(N)nc2c1
InChIInChI=1S/C9H10N2O2S/c1-12-5-3-6-8(7(4-5)13-2)14-9(10)11-6/h3-4H,1-2H3,(H2,10,11)
InChIKeyJRMYWSGFZFQJGS-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.90
Rot. Bonds2

About 5,7-dimethoxy-1,3-benzothiazol-2-amine

5,7-dimethoxy-1,3-benzothiazol-2-amine (PubChem CID 23056771) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5,7-dimethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dimethoxy-1,3-benzothiazol-2-amine
PubChem CID23056771
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5,7-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2sc(N)nc2c1
InChIInChI=1S/C9H10N2O2S/c1-12-5-3-6-8(7(4-5)13-2)14-9(10)11-6/h3-4H,1-2H3,(H2,10,11)
InChIKeyJRMYWSGFZFQJGS-UHFFFAOYSA-N
XLogP1.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dimethoxy-1,3-benzothiazol-2-amine (CID 23056771) is 5,7-dimethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dimethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dimethoxy-1,3-benzothiazol-2-amine is COc1cc(OC)c2sc(N)nc2c1.
What is the InChIKey of 5,7-dimethoxy-1,3-benzothiazol-2-amine?
The InChIKey is JRMYWSGFZFQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-12-5-3-6-8(7(4-5)13-2)14-9(10)11-6/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 5,7-dimethoxy-1,3-benzothiazol-2-amine?
5,7-dimethoxy-1,3-benzothiazol-2-amine has a molecular weight of 210.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 23056771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).