3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline

C13H11N3OS — CID 65336796

IUPAC3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline
SMILESNc1cccc(OCc2nc3cccnc3s2)c1
InChIInChI=1S/C13H11N3OS/c14-9-3-1-4-10(7-9)17-8-12-16-11-5-2-6-15-13(11)18-12/h1-7H,8,14H2
InChIKeyHLYZSVOXQQESHE-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.85
Rot. Bonds3

About 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline

3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline (PubChem CID 65336796) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline
PubChem CID65336796
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline
SMILESNc1cccc(OCc2nc3cccnc3s2)c1
InChIInChI=1S/C13H11N3OS/c14-9-3-1-4-10(7-9)17-8-12-16-11-5-2-6-15-13(11)18-12/h1-7H,8,14H2
InChIKeyHLYZSVOXQQESHE-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline?
The IUPAC name of 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline (CID 65336796) is 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline?
The canonical SMILES for 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline is Nc1cccc(OCc2nc3cccnc3s2)c1.
What is the InChIKey of 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline?
The InChIKey is HLYZSVOXQQESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-9-3-1-4-10(7-9)17-8-12-16-11-5-2-6-15-13(11)18-12/h1-7H,8,14H2.
What are the key properties of 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline?
3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline 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 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 65336796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).