6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione

C6H3FN2OS — CID 155701556

IUPAC6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
SMILESFc1cnc2[nH]c(=S)oc2c1
InChIInChI=1S/C6H3FN2OS/c7-3-1-4-5(8-2-3)9-6(11)10-4/h1-2H,(H,8,9,11)
InChIKeyPASHIWXZYPDKRA-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.02
Rot. Bonds

About 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione

6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione (PubChem CID 155701556) has the molecular formula C6H3FN2OS and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
PubChem CID155701556
Molecular FormulaC6H3FN2OS
Molecular Weight170.17 g/mol
Exact Mass170.00
IUPAC Name6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
SMILESFc1cnc2[nH]c(=S)oc2c1
InChIInChI=1S/C6H3FN2OS/c7-3-1-4-5(8-2-3)9-6(11)10-4/h1-2H,(H,8,9,11)
InChIKeyPASHIWXZYPDKRA-UHFFFAOYSA-N
XLogP2.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione (CID 155701556) is 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione is Fc1cnc2[nH]c(=S)oc2c1.
What is the InChIKey of 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
The InChIKey is PASHIWXZYPDKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2OS/c7-3-1-4-5(8-2-3)9-6(11)10-4/h1-2H,(H,8,9,11).
What are the key properties of 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione?
6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione has a molecular weight of 170.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 155701556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).