6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine

C19H16N2O3S — CID 130443924

IUPAC6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2cccc(Oc3ccc4nc(N)sc4c3)c2cc1OC
InChIInChI=1S/C19H16N2O3S/c1-22-16-8-11-4-3-5-15(13(11)10-17(16)23-2)24-12-6-7-14-18(9-12)25-19(20)21-14/h3-10H,1-2H3,(H2,20,21)
InChIKeyBUKLZSWDXIUFHE-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.84
Rot. Bonds4

About 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine

6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine (PubChem CID 130443924) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine
PubChem CID130443924
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2cccc(Oc3ccc4nc(N)sc4c3)c2cc1OC
InChIInChI=1S/C19H16N2O3S/c1-22-16-8-11-4-3-5-15(13(11)10-17(16)23-2)24-12-6-7-14-18(9-12)25-19(20)21-14/h3-10H,1-2H3,(H2,20,21)
InChIKeyBUKLZSWDXIUFHE-UHFFFAOYSA-N
XLogP4.84
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
CID 91679953
CID 158604119
CID 158604119
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325859
[6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-yl]-thiophen-3-ylmethanamine
CID 69019559
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
N-[3-[(2-amino-1,3-benzothiazol-6-yl)oxy]-4-methoxyphenyl]-3-(1-cyanocyclopropyl)benzamide
CID 86655365

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine (CID 130443924) is 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine is COc1cc2cccc(Oc3ccc4nc(N)sc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine?
The InChIKey is BUKLZSWDXIUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-22-16-8-11-4-3-5-15(13(11)10-17(16)23-2)24-12-6-7-14-18(9-12)25-19(20)21-14/h3-10H,1-2H3,(H2,20,21).
What are the key properties of 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine?
6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine has a molecular weight of 352.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 130443924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).