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

C9H8N2O2S — CID 69244874

IUPAC2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccnc2s1
InChIInChI=1S/C9H8N2O2S/c1-5(9(12)13)7-11-6-3-2-4-10-8(6)14-7/h2-5H,1H3,(H,12,13)
InChIKeyWOTIKSIBURXAND-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.88
Rot. Bonds2

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

2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid (PubChem CID 69244874) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
PubChem CID69244874
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccnc2s1
InChIInChI=1S/C9H8N2O2S/c1-5(9(12)13)7-11-6-3-2-4-10-8(6)14-7/h2-5H,1H3,(H,12,13)
InChIKeyWOTIKSIBURXAND-UHFFFAOYSA-N
XLogP1.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid (CID 69244874) is 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid is CC(C(=O)O)c1nc2cccnc2s1.
What is the InChIKey of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
The InChIKey is WOTIKSIBURXAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5(9(12)13)7-11-6-3-2-4-10-8(6)14-7/h2-5H,1H3,(H,12,13).
What are the key properties of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid?
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid has a molecular weight of 208.24 g/mol, XLogP of 1.88, 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[5,4-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 69244874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).