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

C8H9N3S — CID 82409431

IUPAC(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
SMILESC[C@H](N)c1nc2cccnc2s1
InChIInChI=1S/C8H9N3S/c1-5(9)7-11-6-3-2-4-10-8(6)12-7/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyAHEZAZDSADODEG-YFKPBYRVSA-N
MW179.25 g/mol
LogP1.71
Rot. Bonds1

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

(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine (PubChem CID 82409431) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
PubChem CID82409431
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
SMILESC[C@H](N)c1nc2cccnc2s1
InChIInChI=1S/C8H9N3S/c1-5(9)7-11-6-3-2-4-10-8(6)12-7/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyAHEZAZDSADODEG-YFKPBYRVSA-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 (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine?
The IUPAC name of (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine (CID 82409431) is (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine?
The canonical SMILES for (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine is C[C@H](N)c1nc2cccnc2s1.
What is the InChIKey of (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine?
The InChIKey is AHEZAZDSADODEG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5(9)7-11-6-3-2-4-10-8(6)12-7/h2-5H,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine?
(1S)-1-([1,3]thiazolo[5,4-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 (1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine is sourced from PubChem (CID 82409431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).