3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

C9H8FN3OS — CID 62254692

IUPAC3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cc(N)cc(F)c2)o1
InChIInChI=1S/C9H8FN3OS/c1-5-12-13-9(14-5)15-8-3-6(10)2-7(11)4-8/h2-4H,11H2,1H3
InChIKeyVZDJOZHINDXJKZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.25
Rot. Bonds2

About 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (PubChem CID 62254692) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
PubChem CID62254692
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cc(N)cc(F)c2)o1
InChIInChI=1S/C9H8FN3OS/c1-5-12-13-9(14-5)15-8-3-6(10)2-7(11)4-8/h2-4H,11H2,1H3
InChIKeyVZDJOZHINDXJKZ-UHFFFAOYSA-N
XLogP2.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (CID 62254692) is 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is Cc1nnc(Sc2cc(N)cc(F)c2)o1.
What is the InChIKey of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The InChIKey is VZDJOZHINDXJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-12-13-9(14-5)15-8-3-6(10)2-7(11)4-8/h2-4H,11H2,1H3.
What are the key properties of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline has a molecular weight of 225.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 62254692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).