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

C14H8F5N3OS — CID 86668533

IUPAC2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)COc1cnccc1-c1nc2cc(C(F)(F)F)cnc2s1
InChIInChI=1S/C14H8F5N3OS/c15-11(16)6-23-10-5-20-2-1-8(10)12-22-9-3-7(14(17,18)19)4-21-13(9)24-12/h1-5,11H,6H2
InChIKeyGVXNMWMNQDHAHJ-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.42
Rot. Bonds4

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

2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 86668533) has the molecular formula C14H8F5N3OS and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID86668533
Molecular FormulaC14H8F5N3OS
Molecular Weight361.30 g/mol
Exact Mass361.03
IUPAC Name2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)COc1cnccc1-c1nc2cc(C(F)(F)F)cnc2s1
InChIInChI=1S/C14H8F5N3OS/c15-11(16)6-23-10-5-20-2-1-8(10)12-22-9-3-7(14(17,18)19)4-21-13(9)24-12/h1-5,11H,6H2
InChIKeyGVXNMWMNQDHAHJ-UHFFFAOYSA-N
XLogP4.42
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 86668533) is 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is FC(F)COc1cnccc1-c1nc2cc(C(F)(F)F)cnc2s1.
What is the InChIKey of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is GVXNMWMNQDHAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3OS/c15-11(16)6-23-10-5-20-2-1-8(10)12-22-9-3-7(14(17,18)19)4-21-13(9)24-12/h1-5,11H,6H2.
What are the key properties of 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine?
2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 361.30 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 86668533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).