1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine

C8H9N3S — CID 82409429

IUPAC1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine
SMILESCC(N)c1nc2ncccc2s1
InChIInChI=1S/C8H9N3S/c1-5(9)8-11-7-6(12-8)3-2-4-10-7/h2-5H,9H2,1H3
InChIKeyCOQSSGCTFRKDEL-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.71
Rot. Bonds1

About 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine

1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine (PubChem CID 82409429) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine
PubChem CID82409429
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine
SMILESCC(N)c1nc2ncccc2s1
InChIInChI=1S/C8H9N3S/c1-5(9)8-11-7-6(12-8)3-2-4-10-7/h2-5H,9H2,1H3
InChIKeyCOQSSGCTFRKDEL-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine?
The IUPAC name of 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine (CID 82409429) is 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine.
What is the SMILES notation for 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine?
The canonical SMILES for 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine is CC(N)c1nc2ncccc2s1.
What is the InChIKey of 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine?
The InChIKey is COQSSGCTFRKDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5(9)8-11-7-6(12-8)3-2-4-10-7/h2-5H,9H2,1H3.
What are the key properties of 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine?
1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine has a molecular weight of 179.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethanamine is sourced from PubChem (CID 82409429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).