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

C10H10FN3OS — CID 63332027

IUPAC3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
SMILESCc1nnc(SCc2c(N)cccc2F)o1
InChIInChI=1S/C10H10FN3OS/c1-6-13-14-10(15-6)16-5-7-8(11)3-2-4-9(7)12/h2-4H,5,12H2,1H3
InChIKeyCYKGARZDFAZOCY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.39
Rot. Bonds3

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

3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline (PubChem CID 63332027) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
PubChem CID63332027
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
SMILESCc1nnc(SCc2c(N)cccc2F)o1
InChIInChI=1S/C10H10FN3OS/c1-6-13-14-10(15-6)16-5-7-8(11)3-2-4-9(7)12/h2-4H,5,12H2,1H3
InChIKeyCYKGARZDFAZOCY-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline?
The IUPAC name of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline (CID 63332027) is 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline.
What is the SMILES notation for 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline?
The canonical SMILES for 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline is Cc1nnc(SCc2c(N)cccc2F)o1.
What is the InChIKey of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline?
The InChIKey is CYKGARZDFAZOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-6-13-14-10(15-6)16-5-7-8(11)3-2-4-9(7)12/h2-4H,5,12H2,1H3.
What are the key properties of 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline?
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline has a molecular weight of 239.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 63332027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).