2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine

C13H11N3OS2 — CID 115321329

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(N)c(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C13H11N3OS2/c1-17-11-7-6-8(14)12(16-11)19-13-15-9-4-2-3-5-10(9)18-13/h2-7H,14H2,1H3
InChIKeyUJGQTSHLVYDFCY-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.43
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine

2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine (PubChem CID 115321329) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
PubChem CID115321329
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(N)c(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C13H11N3OS2/c1-17-11-7-6-8(14)12(16-11)19-13-15-9-4-2-3-5-10(9)18-13/h2-7H,14H2,1H3
InChIKeyUJGQTSHLVYDFCY-UHFFFAOYSA-N
XLogP3.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-methylsulfanylpyridin-3-amine
CID 22592086
2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 110435768
2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine
CID 63589197
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991079
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263
4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80887960
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
8-(1,3-benzothiazol-2-ylsulfanyl)isoquinolin-5-amine
CID 103140846
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine (CID 115321329) is 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine is COc1ccc(N)c(Sc2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine?
The InChIKey is UJGQTSHLVYDFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-17-11-7-6-8(14)12(16-11)19-13-15-9-4-2-3-5-10(9)18-13/h2-7H,14H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine?
2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine has a molecular weight of 289.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 115321329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).