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

C8H4FN3S — CID 156678055

IUPAC6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILES[C-]#[N+]c1nc2nc(C)sc2cc1F
InChIInChI=1S/C8H4FN3S/c1-4-11-8-6(13-4)3-5(9)7(10-2)12-8/h3H,1H3
InChIKeyLJHNMEXOBZAWGY-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.69
Rot. Bonds

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

6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 156678055) has the molecular formula C8H4FN3S and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID156678055
Molecular FormulaC8H4FN3S
Molecular Weight193.21 g/mol
Exact Mass193.01
IUPAC Name6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILES[C-]#[N+]c1nc2nc(C)sc2cc1F
InChIInChI=1S/C8H4FN3S/c1-4-11-8-6(13-4)3-5(9)7(10-2)12-8/h3H,1H3
InChIKeyLJHNMEXOBZAWGY-UHFFFAOYSA-N
XLogP2.69
TPSA30.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 156678055) is 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine is [C-]#[N+]c1nc2nc(C)sc2cc1F.
What is the InChIKey of 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is LJHNMEXOBZAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3S/c1-4-11-8-6(13-4)3-5(9)7(10-2)12-8/h3H,1H3.
What are the key properties of 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine?
6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 193.21 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-isocyano-2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 156678055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).