2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

C8H10F2N2OS — CID 138671069

IUPAC2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)COc1nc2c(s1)CCNC2
InChIInChI=1S/C8H10F2N2OS/c9-7(10)4-13-8-12-5-3-11-2-1-6(5)14-8/h7,11H,1-4H2
InChIKeyWISPBNREKMERAD-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.43
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 138671069) has the molecular formula C8H10F2N2OS and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID138671069
Molecular FormulaC8H10F2N2OS
Molecular Weight220.24 g/mol
Exact Mass220.05
IUPAC Name2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)COc1nc2c(s1)CCNC2
InChIInChI=1S/C8H10F2N2OS/c9-7(10)4-13-8-12-5-3-11-2-1-6(5)14-8/h7,11H,1-4H2
InChIKeyWISPBNREKMERAD-UHFFFAOYSA-N
XLogP1.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 138671069) is 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is FC(F)COc1nc2c(s1)CCNC2.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is WISPBNREKMERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2OS/c9-7(10)4-13-8-12-5-3-11-2-1-6(5)14-8/h7,11H,1-4H2.
What are the key properties of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 220.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 138671069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).