2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

C8H4ClF3N2S — CID 90135030

IUPAC2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2sc(CCl)nc2c1
InChIInChI=1S/C8H4ClF3N2S/c9-2-6-14-5-1-4(8(10,11)12)3-13-7(5)15-6/h1,3H,2H2
InChIKeyRGNNEZDCCZAVSQ-UHFFFAOYSA-N
MW252.65 g/mol
LogP3.45
Rot. Bonds1

About 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 90135030) has the molecular formula C8H4ClF3N2S and a molecular weight of 252.65 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID90135030
Molecular FormulaC8H4ClF3N2S
Molecular Weight252.65 g/mol
Exact Mass251.97
IUPAC Name2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2sc(CCl)nc2c1
InChIInChI=1S/C8H4ClF3N2S/c9-2-6-14-5-1-4(8(10,11)12)3-13-7(5)15-6/h1,3H,2H2
InChIKeyRGNNEZDCCZAVSQ-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 90135030) is 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)c1cnc2sc(CCl)nc2c1.
What is the InChIKey of 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is RGNNEZDCCZAVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2S/c9-2-6-14-5-1-4(8(10,11)12)3-13-7(5)15-6/h1,3H,2H2.
What are the key properties of 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 252.65 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 90135030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).