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

C15H9F5N2OS — CID 123769182

IUPAC2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F
InChIInChI=1S/C15H9F5N2OS/c1-7-9(16)2-3-11(13(7)17)23-6-12-22-10-4-8(15(18,19)20)5-21-14(10)24-12/h2-5H,6H2,1H3
InChIKeyWHWUZYYNCGSTHQ-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.88
Rot. Bonds3

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

2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 123769182) has the molecular formula C15H9F5N2OS and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID123769182
Molecular FormulaC15H9F5N2OS
Molecular Weight360.31 g/mol
Exact Mass360.04
IUPAC Name2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F
InChIInChI=1S/C15H9F5N2OS/c1-7-9(16)2-3-11(13(7)17)23-6-12-22-10-4-8(15(18,19)20)5-21-14(10)24-12/h2-5H,6H2,1H3
InChIKeyWHWUZYYNCGSTHQ-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

PC-190723
CID 25016417
Txa709
CID 75203933
Txa707
CID 90135655
2-(2-Ethoxyphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 155537416
3-[(6-Ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
CID 46236765
2,6-Difluoro-3-[(6-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 46236766
3-((6-Ethynylthiazolo[5,4-b]pyridin-2-yl)methoxy)-2,6-difluorobenzamide
CID 167312464
2-[2-[3-Methyl-4-(2-methylpropoxy)-2-pyridinyl]ethyl]-1,3-benzothiazole
CID 10871104
2-[[3-Methyl-4-(2-methylpropoxy)-2-pyridinyl]methoxy]-1,3-benzothiazole
CID 11099519
2-(2-fluorophenoxy)-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)propanamide
CID 43955395
N-benzyl-N-methyl-2-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yloxy)ethanamine
CID 44591976
2-[2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)triazol-4-yl]methoxy]phenyl]-1,3-benzothiazole
CID 70682589

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 123769182) is 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is Cc1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F.
What is the InChIKey of 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is WHWUZYYNCGSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2OS/c1-7-9(16)2-3-11(13(7)17)23-6-12-22-10-4-8(15(18,19)20)5-21-14(10)24-12/h2-5H,6H2,1H3.
What are the key properties of 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 360.31 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 123769182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).