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

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Related Compounds

methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849981
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 86681077
2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole
CID 158110284
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
CID 117275214
methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate
CID 114080591
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole
CID 118944509
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392

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).