2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid

C8H6N2O2S — CID 76850504

IUPAC2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
SMILESO=C(O)Cc1nccc2scnc12
InChIInChI=1S/C8H6N2O2S/c11-7(12)3-5-8-6(1-2-9-5)13-4-10-8/h1-2,4H,3H2,(H,11,12)
InChIKeyGQYSDYQJGQHWOZ-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.32
Rot. Bonds2

About 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid

2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid (PubChem CID 76850504) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
PubChem CID76850504
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
SMILESO=C(O)Cc1nccc2scnc12
InChIInChI=1S/C8H6N2O2S/c11-7(12)3-5-8-6(1-2-9-5)13-4-10-8/h1-2,4H,3H2,(H,11,12)
InChIKeyGQYSDYQJGQHWOZ-UHFFFAOYSA-N
XLogP1.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid?
The IUPAC name of 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid (CID 76850504) is 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid.
What is the SMILES notation for 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid?
The canonical SMILES for 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid is O=C(O)Cc1nccc2scnc12.
What is the InChIKey of 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid?
The InChIKey is GQYSDYQJGQHWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-7(12)3-5-8-6(1-2-9-5)13-4-10-8/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid?
2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid has a molecular weight of 194.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid is sourced from PubChem (CID 76850504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).