2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine

C13H15F3N2OS — CID 118069593

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)(C)OCc1nc2cc(CC(F)(F)F)cnc2s1
InChIInChI=1S/C13H15F3N2OS/c1-12(2,3)19-7-10-18-9-4-8(5-13(14,15)16)6-17-11(9)20-10/h4,6H,5,7H2,1-3H3
InChIKeyXGFNLPZWHXQANA-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.11
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine

2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 118069593) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID118069593
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)(C)OCc1nc2cc(CC(F)(F)F)cnc2s1
InChIInChI=1S/C13H15F3N2OS/c1-12(2,3)19-7-10-18-9-4-8(5-13(14,15)16)6-17-11(9)20-10/h4,6H,5,7H2,1-3H3
InChIKeyXGFNLPZWHXQANA-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

Ethyl (1,3)thiazolo(5,4-b)pyridine-2-carboxylate
CID 65335468
2-Phenyl-[1,3]thiazolo[5,4-b]pyridine
CID 353021
2-(Chloromethyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 90135030
2-Chloro-6-(trifluoromethyl)-(1,3)thiazolo(5,4-b)pyridine
CID 21860914
2-(2-Fluorophenyl)thiazolo[5,4-b]pyridine
CID 22754771
7-Methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 57432057
7-(Trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 67113587
2-(2-Ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 68091095
2-(2-Ethylsulfinylphenyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 68091096
2-(3-Fluoropyridin-4-yl)-6-(trifluoromethyl)thiazolo[5,4-b]pyridine
CID 68153707
2-(3-Ethylsulfinylpyridin-4-yl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 68153797
2-[3-(Methylthio)pyridin-4-yl]-6-(trifluoromethyl)thiazolo[5,4-b]pyridine
CID 68153884

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 118069593) is 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine is CC(C)(C)OCc1nc2cc(CC(F)(F)F)cnc2s1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is XGFNLPZWHXQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-12(2,3)19-7-10-18-9-4-8(5-13(14,15)16)6-17-11(9)20-10/h4,6H,5,7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 304.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]-6-(2,2,2-trifluoroethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 118069593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).