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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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).