ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate

C9H7FN2O2S — CID 162686533

IUPACethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cnc(F)cc2s1
InChIInChI=1S/C9H7FN2O2S/c1-2-14-9(13)8-12-5-4-11-7(10)3-6(5)15-8/h3-4H,2H2,1H3
InChIKeyRVFSIFYJDUTULE-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.01
Rot. Bonds2

About ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate

ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate (PubChem CID 162686533) has the molecular formula C9H7FN2O2S and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
PubChem CID162686533
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Exact Mass226.02
IUPAC Nameethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cnc(F)cc2s1
InChIInChI=1S/C9H7FN2O2S/c1-2-14-9(13)8-12-5-4-11-7(10)3-6(5)15-8/h3-4H,2H2,1H3
InChIKeyRVFSIFYJDUTULE-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate (CID 162686533) is ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate is CCOC(=O)c1nc2cnc(F)cc2s1.
What is the InChIKey of ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
The InChIKey is RVFSIFYJDUTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S/c1-2-14-9(13)8-12-5-4-11-7(10)3-6(5)15-8/h3-4H,2H2,1H3.
What are the key properties of ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate?
ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 162686533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).