2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

C15H8F3N3O2S2 — CID 58612240

IUPAC2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESCSc1nc2ncc(C#N)c(Oc3cccc(OC(F)(F)F)c3)c2s1
InChIInChI=1S/C15H8F3N3O2S2/c1-24-14-21-13-12(25-14)11(8(6-19)7-20-13)22-9-3-2-4-10(5-9)23-15(16,17)18/h2-5,7H,1H3
InChIKeyUGPLGASNYVHKNM-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.98
Rot. Bonds4

About 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 58612240) has the molecular formula C15H8F3N3O2S2 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
PubChem CID58612240
Molecular FormulaC15H8F3N3O2S2
Molecular Weight383.38 g/mol
Exact Mass383.00
IUPAC Name2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESCSc1nc2ncc(C#N)c(Oc3cccc(OC(F)(F)F)c3)c2s1
InChIInChI=1S/C15H8F3N3O2S2/c1-24-14-21-13-12(25-14)11(8(6-19)7-20-13)22-9-3-2-4-10(5-9)23-15(16,17)18/h2-5,7H,1H3
InChIKeyUGPLGASNYVHKNM-UHFFFAOYSA-N
XLogP4.98
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-6-carbonitrile?
The IUPAC name of 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (CID 58612240) is 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is CSc1nc2ncc(C#N)c(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-6-carbonitrile?
The InChIKey is UGPLGASNYVHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O2S2/c1-24-14-21-13-12(25-14)11(8(6-19)7-20-13)22-9-3-2-4-10(5-9)23-15(16,17)18/h2-5,7H,1H3.
What are the key properties of 2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
2-methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 383.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-6-carbonitrile is sourced from PubChem (CID 58612240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).