3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide

C10H8F2N4OS — CID 81293390

IUPAC3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2nnc(C)o2)c(F)c1
InChIInChI=1S/C10H8F2N4OS/c1-4-15-16-10(17-4)18-8-6(11)2-5(9(13)14)3-7(8)12/h2-3H,1H3,(H3,13,14)
InChIKeyOMFRYQSNYFKIPT-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.09
Rot. Bonds3

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

3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 81293390) has the molecular formula C10H8F2N4OS and a molecular weight of 270.26 g/mol. Its IUPAC name is 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID81293390
Molecular FormulaC10H8F2N4OS
Molecular Weight270.26 g/mol
Exact Mass270.04
IUPAC Name3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2nnc(C)o2)c(F)c1
InChIInChI=1S/C10H8F2N4OS/c1-4-15-16-10(17-4)18-8-6(11)2-5(9(13)14)3-7(8)12/h2-3H,1H3,(H3,13,14)
InChIKeyOMFRYQSNYFKIPT-UHFFFAOYSA-N
XLogP2.09
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide 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 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide (CID 81293390) is 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Sc2nnc(C)o2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is OMFRYQSNYFKIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4OS/c1-4-15-16-10(17-4)18-8-6(11)2-5(9(13)14)3-7(8)12/h2-3H,1H3,(H3,13,14).
What are the key properties of 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide?
3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 270.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 81293390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).