2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

C14H9F3N2O2S2 — CID 141140648

IUPAC2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESCSc1nc2nccc(Oc3cccc(OC(F)(F)F)c3)c2s1
InChIInChI=1S/C14H9F3N2O2S2/c1-22-13-19-12-11(23-13)10(5-6-18-12)20-8-3-2-4-9(7-8)21-14(15,16)17/h2-7H,1H3
InChIKeyMJTXIESLIIGZFL-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.10
Rot. Bonds4

About 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine

2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 141140648) has the molecular formula C14H9F3N2O2S2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID141140648
Molecular FormulaC14H9F3N2O2S2
Molecular Weight358.37 g/mol
Exact Mass358.01
IUPAC Name2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESCSc1nc2nccc(Oc3cccc(OC(F)(F)F)c3)c2s1
InChIInChI=1S/C14H9F3N2O2S2/c1-22-13-19-12-11(23-13)10(5-6-18-12)20-8-3-2-4-9(7-8)21-14(15,16)17/h2-7H,1H3
InChIKeyMJTXIESLIIGZFL-UHFFFAOYSA-N
XLogP5.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine (CID 141140648) is 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is CSc1nc2nccc(Oc3cccc(OC(F)(F)F)c3)c2s1.
What is the InChIKey of 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is MJTXIESLIIGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S2/c1-22-13-19-12-11(23-13)10(5-6-18-12)20-8-3-2-4-9(7-8)21-14(15,16)17/h2-7H,1H3.
What are the key properties of 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine?
2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 358.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 141140648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).