5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione

C11H8FN3OS — CID 139220762

IUPAC5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1c(-c2n[nH]c(=S)o2)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H8FN3OS/c1-5-7-3-2-6(12)4-8(7)13-9(5)10-14-15-11(17)16-10/h2-4,13H,1H3,(H,15,17)
InChIKeyYLBHXRCGXIHLRR-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.33
Rot. Bonds1

About 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione

5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 139220762) has the molecular formula C11H8FN3OS and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID139220762
Molecular FormulaC11H8FN3OS
Molecular Weight249.27 g/mol
Exact Mass249.04
IUPAC Name5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1c(-c2n[nH]c(=S)o2)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H8FN3OS/c1-5-7-3-2-6(12)4-8(7)13-9(5)10-14-15-11(17)16-10/h2-4,13H,1H3,(H,15,17)
InChIKeyYLBHXRCGXIHLRR-UHFFFAOYSA-N
XLogP3.33
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione (CID 139220762) is 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione is Cc1c(-c2n[nH]c(=S)o2)[nH]c2cc(F)ccc12.
What is the InChIKey of 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is YLBHXRCGXIHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3OS/c1-5-7-3-2-6(12)4-8(7)13-9(5)10-14-15-11(17)16-10/h2-4,13H,1H3,(H,15,17).
What are the key properties of 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 249.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 139220762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).