4,7-dimethoxy-1,3-benzothiazol-2-amine

C9H10N2O2S — CID 2049898

IUPAC4,7-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c2sc(N)nc12
InChIInChI=1S/C9H10N2O2S/c1-12-5-3-4-6(13-2)8-7(5)11-9(10)14-8/h3-4H,1-2H3,(H2,10,11)
InChIKeyGVDOKYBXIQWKJG-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.90
Rot. Bonds2

About 4,7-dimethoxy-1,3-benzothiazol-2-amine

4,7-dimethoxy-1,3-benzothiazol-2-amine (PubChem CID 2049898) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4,7-dimethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,7-dimethoxy-1,3-benzothiazol-2-amine
PubChem CID2049898
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4,7-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c2sc(N)nc12
InChIInChI=1S/C9H10N2O2S/c1-12-5-3-4-6(13-2)8-7(5)11-9(10)14-8/h3-4H,1-2H3,(H2,10,11)
InChIKeyGVDOKYBXIQWKJG-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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Related Compounds

4-Methoxy-2-aminobenzothiazole
CID 21622
5-Methoxy-2-benzothiazolamine
CID 41055
2-Chloro-4,7-dimethoxy-1,3-benzothiazole
CID 2049882
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 3511405
4-Ethoxy-2-hydrazino-1,3-benzothiazole
CID 2049835
4-Methoxy-6-nitro-1,3-benzothiazol-2-amine
CID 815523
4-Methoxy-benzothiazole-2,6-diamine
CID 768524
4-Ethoxy-2-benzothiazolamine
CID 27508
4-(Trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 10633417
5,8-Dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
CID 2771058
5,8-Dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 129897812
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 4,7-dimethoxy-1,3-benzothiazol-2-amine (CID 2049898) is 4,7-dimethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,7-dimethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,7-dimethoxy-1,3-benzothiazol-2-amine is COc1ccc(OC)c2sc(N)nc12.
What is the InChIKey of 4,7-dimethoxy-1,3-benzothiazol-2-amine?
The InChIKey is GVDOKYBXIQWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-12-5-3-4-6(13-2)8-7(5)11-9(10)14-8/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 4,7-dimethoxy-1,3-benzothiazol-2-amine?
4,7-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 4,7-dimethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2049898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).