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

C9H12F2N2OS — CID 138671840

IUPAC2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(F)(F)COc1nc2c(s1)CCNC2
InChIInChI=1S/C9H12F2N2OS/c1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8/h12H,2-5H2,1H3
InChIKeyBGKXLQYPACTKNP-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.82
Rot. Bonds3

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

2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 138671840) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID138671840
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC Name2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(F)(F)COc1nc2c(s1)CCNC2
InChIInChI=1S/C9H12F2N2OS/c1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8/h12H,2-5H2,1H3
InChIKeyBGKXLQYPACTKNP-UHFFFAOYSA-N
XLogP1.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 138671840) is 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is CC(F)(F)COc1nc2c(s1)CCNC2.
What is the InChIKey of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is BGKXLQYPACTKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-9(10,11)5-14-8-13-6-4-12-3-2-7(6)15-8/h12H,2-5H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 234.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 138671840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).