8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine

C11H8FN3S2 — CID 13178281

IUPAC8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine
SMILESCSC1=Nc2cc(F)ccc2Sc2nccn21
InChIInChI=1S/C11H8FN3S2/c1-16-11-14-8-6-7(12)2-3-9(8)17-10-13-4-5-15(10)11/h2-6H,1H3
InChIKeySSNPARAOEZNPND-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.39
Rot. Bonds

About 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine

8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine (PubChem CID 13178281) has the molecular formula C11H8FN3S2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine.

Molecular Properties

Compound Name8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine
PubChem CID13178281
Molecular FormulaC11H8FN3S2
Molecular Weight265.34 g/mol
Exact Mass265.01
IUPAC Name8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine
SMILESCSC1=Nc2cc(F)ccc2Sc2nccn21
InChIInChI=1S/C11H8FN3S2/c1-16-11-14-8-6-7(12)2-3-9(8)17-10-13-4-5-15(10)11/h2-6H,1H3
InChIKeySSNPARAOEZNPND-UHFFFAOYSA-N
XLogP3.39
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine?
The IUPAC name of 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine (CID 13178281) is 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine.
What is the SMILES notation for 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine?
The canonical SMILES for 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine is CSC1=Nc2cc(F)ccc2Sc2nccn21.
What is the InChIKey of 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine?
The InChIKey is SSNPARAOEZNPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S2/c1-16-11-14-8-6-7(12)2-3-9(8)17-10-13-4-5-15(10)11/h2-6H,1H3.
What are the key properties of 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine?
8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine has a molecular weight of 265.34 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methylsulfanylimidazo[2,1-b][1,3,5]benzothiadiazepine is sourced from PubChem (CID 13178281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).