N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide

C11H7BrFN5O2S — CID 3932234

IUPACN-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
SMILESO=C(CSc1nn2cnnc2o1)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFN5O2S/c12-6-1-2-8(7(13)3-6)15-9(19)4-21-11-17-18-5-14-16-10(18)20-11/h1-3,5H,4H2,(H,15,19)
InChIKeyVUQMMBKTTMYANH-UHFFFAOYSA-N
MW372.18 g/mol
LogP2.35
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide

N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide (PubChem CID 3932234) has the molecular formula C11H7BrFN5O2S and a molecular weight of 372.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
PubChem CID3932234
Molecular FormulaC11H7BrFN5O2S
Molecular Weight372.18 g/mol
Exact Mass370.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
SMILESO=C(CSc1nn2cnnc2o1)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFN5O2S/c12-6-1-2-8(7(13)3-6)15-9(19)4-21-11-17-18-5-14-16-10(18)20-11/h1-3,5H,4H2,(H,15,19)
InChIKeyVUQMMBKTTMYANH-UHFFFAOYSA-N
XLogP2.35
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide (CID 3932234) is N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide is O=C(CSc1nn2cnnc2o1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
The InChIKey is VUQMMBKTTMYANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN5O2S/c12-6-1-2-8(7(13)3-6)15-9(19)4-21-11-17-18-5-14-16-10(18)20-11/h1-3,5H,4H2,(H,15,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide has a molecular weight of 372.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide is sourced from PubChem (CID 3932234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).