6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine

C13H11N3OS — CID 10400229

IUPAC6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine
SMILESNc1nsc2cc(OCc3ccccn3)ccc12
InChIInChI=1S/C13H11N3OS/c14-13-11-5-4-10(7-12(11)18-16-13)17-8-9-3-1-2-6-15-9/h1-7H,8H2,(H2,14,16)
InChIKeyLHDBSQFPAGVWRW-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.85
Rot. Bonds3

About 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine

6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine (PubChem CID 10400229) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine
PubChem CID10400229
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine
SMILESNc1nsc2cc(OCc3ccccn3)ccc12
InChIInChI=1S/C13H11N3OS/c14-13-11-5-4-10(7-12(11)18-16-13)17-8-9-3-1-2-6-15-9/h1-7H,8H2,(H2,14,16)
InChIKeyLHDBSQFPAGVWRW-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
ethyl 6-(pyridin-2-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 169229591
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
CID 157293839

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine?
The IUPAC name of 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine (CID 10400229) is 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine.
What is the SMILES notation for 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine?
The canonical SMILES for 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine is Nc1nsc2cc(OCc3ccccn3)ccc12.
What is the InChIKey of 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine?
The InChIKey is LHDBSQFPAGVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-13-11-5-4-10(7-12(11)18-16-13)17-8-9-3-1-2-6-15-9/h1-7H,8H2,(H2,14,16).
What are the key properties of 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine?
6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine has a molecular weight of 257.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylmethoxy)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 10400229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).