2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine

C13H11N3OS — CID 43382999

IUPAC2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Oc3cccnc3)c(N)cc2s1
InChIInChI=1S/C13H11N3OS/c1-8-16-11-6-12(10(14)5-13(11)18-8)17-9-3-2-4-15-7-9/h2-7H,14H2,1H3
InChIKeyPPXOGWDQWVXQFZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.37
Rot. Bonds2

About 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine

2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine (PubChem CID 43382999) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
PubChem CID43382999
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Oc3cccnc3)c(N)cc2s1
InChIInChI=1S/C13H11N3OS/c1-8-16-11-6-12(10(14)5-13(11)18-8)17-9-3-2-4-15-7-9/h2-7H,14H2,1H3
InChIKeyPPXOGWDQWVXQFZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
5-(4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450665
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
5-(3-chloro-4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 63878978
4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
CID 139598514
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 54966656
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43144876
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine (CID 43382999) is 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine is Cc1nc2cc(Oc3cccnc3)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine?
The InChIKey is PPXOGWDQWVXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-16-11-6-12(10(14)5-13(11)18-8)17-9-3-2-4-15-7-9/h2-7H,14H2,1H3.
What are the key properties of 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine?
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-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 2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43382999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).