ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate

C10H7F3N2O5S2 — CID 134202450

IUPACethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2ncsc2c1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O5S2/c1-2-19-9(16)6-7(20-22(17,18)10(11,12)13)8-5(3-14-6)15-4-21-8/h3-4H,2H2,1H3
InChIKeyNWUJMVBACHKRGC-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.10
Rot. Bonds4

About ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate

ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate (PubChem CID 134202450) has the molecular formula C10H7F3N2O5S2 and a molecular weight of 356.30 g/mol. Its IUPAC name is ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
PubChem CID134202450
Molecular FormulaC10H7F3N2O5S2
Molecular Weight356.30 g/mol
Exact Mass355.97
IUPAC Nameethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2ncsc2c1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O5S2/c1-2-19-9(16)6-7(20-22(17,18)10(11,12)13)8-5(3-14-6)15-4-21-8/h3-4H,2H2,1H3
InChIKeyNWUJMVBACHKRGC-UHFFFAOYSA-N
XLogP2.10
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

diethyl 3,7-bis(trifluoromethylsulfonyloxy)thieno[2,3-f][1]benzothiole-2,6-dicarboxylate
CID 132516731
ethyl 4-methyl-1,3-thiazole-5-carboxylate;2,2,2-trifluoroacetic acid
CID 175774897
ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680335
ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 90852129
ethyl 3-(4-methylphenyl)-4-(trifluoromethylsulfonyloxy)-1H-pyrazole-5-carboxylate
CID 88573602
ethane;ethyl 4-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate
CID 153359412
ethyl 3-methoxy-5-nitro-4-(trifluoromethylsulfonyloxy)benzoate
CID 86621576
ethyl 3-methyl-5-nitro-4-(trifluoromethylsulfonyloxy)benzoate
CID 89007074
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665521
ethyl 4-(chloromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680721
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate (CID 134202450) is ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate is CCOC(=O)c1ncc2ncsc2c1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The InChIKey is NWUJMVBACHKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O5S2/c1-2-19-9(16)6-7(20-22(17,18)10(11,12)13)8-5(3-14-6)15-4-21-8/h3-4H,2H2,1H3.
What are the key properties of ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate has a molecular weight of 356.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(trifluoromethylsulfonyloxy)-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 134202450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).