6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile

C8H4FN3S — CID 146284933

IUPAC6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile
SMILESCc1nc2nc(C#N)c(F)cc2s1
InChIInChI=1S/C8H4FN3S/c1-4-11-8-7(13-4)2-5(9)6(3-10)12-8/h2H,1H3
InChIKeyXCTSIJCWJKSTAG-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.01
Rot. Bonds

About 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile

6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile (PubChem CID 146284933) has the molecular formula C8H4FN3S and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile
PubChem CID146284933
Molecular FormulaC8H4FN3S
Molecular Weight193.21 g/mol
Exact Mass193.01
IUPAC Name6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile
SMILESCc1nc2nc(C#N)c(F)cc2s1
InChIInChI=1S/C8H4FN3S/c1-4-11-8-7(13-4)2-5(9)6(3-10)12-8/h2H,1H3
InChIKeyXCTSIJCWJKSTAG-UHFFFAOYSA-N
XLogP2.01
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile?
The IUPAC name of 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile (CID 146284933) is 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile is Cc1nc2nc(C#N)c(F)cc2s1.
What is the InChIKey of 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile?
The InChIKey is XCTSIJCWJKSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3S/c1-4-11-8-7(13-4)2-5(9)6(3-10)12-8/h2H,1H3.
What are the key properties of 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile?
6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile is sourced from PubChem (CID 146284933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).