3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine

C13H11N3OS — CID 139598514

IUPAC3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
SMILESCc1nc2cc(Oc3cccnc3N)ccc2s1
InChIInChI=1S/C13H11N3OS/c1-8-16-10-7-9(4-5-12(10)18-8)17-11-3-2-6-15-13(11)14/h2-7H,1H3,(H2,14,15)
InChIKeyXMAZSBJWDXZAGG-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.37
Rot. Bonds2

About 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine

3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine (PubChem CID 139598514) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
PubChem CID139598514
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
SMILESCc1nc2cc(Oc3cccnc3N)ccc2s1
InChIInChI=1S/C13H11N3OS/c1-8-16-10-7-9(4-5-12(10)18-8)17-11-3-2-6-15-13(11)14/h2-7H,1H3,(H2,14,15)
InChIKeyXMAZSBJWDXZAGG-UHFFFAOYSA-N
XLogP3.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
5-(4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450665
1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one
CID 139599198
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
sodium 2-methyl-5-sulfidosulfinyloxy-1,3-benzothiazole
CID 58683337
3-N-[[3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]methyl]pyridine-2,3-diamine
CID 11688808
5-(3-chloro-4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 63878978

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine?
The IUPAC name of 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine (CID 139598514) is 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine.
What is the SMILES notation for 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine?
The canonical SMILES for 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine is Cc1nc2cc(Oc3cccnc3N)ccc2s1.
What is the InChIKey of 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine?
The InChIKey is XMAZSBJWDXZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-16-10-7-9(4-5-12(10)18-8)17-11-3-2-6-15-13(11)14/h2-7H,1H3,(H2,14,15).
What are the key properties of 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine?
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine is sourced from PubChem (CID 139598514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).