methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C13H8FN3O2S — CID 121379369

IUPACmethyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(-c3cncc(F)c3)sc2c1
InChIInChI=1S/C13H8FN3O2S/c1-19-13(18)8-3-10-11(16-5-8)17-12(20-10)7-2-9(14)6-15-4-7/h2-6H,1H3
InChIKeyMJBLHGNNGFWPDD-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.68
Rot. Bonds2

About methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 121379369) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID121379369
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Namemethyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(-c3cncc(F)c3)sc2c1
InChIInChI=1S/C13H8FN3O2S/c1-19-13(18)8-3-10-11(16-5-8)17-12(20-10)7-2-9(14)6-15-4-7/h2-6H,1H3
InChIKeyMJBLHGNNGFWPDD-UHFFFAOYSA-N
XLogP2.68
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate 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 methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 121379369) is methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2nc(-c3cncc(F)c3)sc2c1.
What is the InChIKey of methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is MJBLHGNNGFWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c1-19-13(18)8-3-10-11(16-5-8)17-12(20-10)7-2-9(14)6-15-4-7/h2-6H,1H3.
What are the key properties of methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 121379369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).