7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

C9H9FN2S — CID 118410789

IUPAC7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1ncc2ncsc2c1F
InChIInChI=1S/C9H9FN2S/c1-5(2)8-7(10)9-6(3-11-8)12-4-13-9/h3-5H,1-2H3
InChIKeyORCHWRIOORENIT-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.95
Rot. Bonds1

About 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 118410789) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
PubChem CID118410789
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1ncc2ncsc2c1F
InChIInChI=1S/C9H9FN2S/c1-5(2)8-7(10)9-6(3-11-8)12-4-13-9/h3-5H,1-2H3
InChIKeyORCHWRIOORENIT-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (CID 118410789) is 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is CC(C)c1ncc2ncsc2c1F.
What is the InChIKey of 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is ORCHWRIOORENIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-5(2)8-7(10)9-6(3-11-8)12-4-13-9/h3-5H,1-2H3.
What are the key properties of 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 196.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 118410789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).