3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide

C10H8F2N4OS2 — CID 81283248

IUPAC3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
SMILESCc1nsc(Sc2c(F)cc(C(N)=NO)cc2F)n1
InChIInChI=1S/C10H8F2N4OS2/c1-4-14-10(19-16-4)18-8-6(11)2-5(3-7(8)12)9(13)15-17/h2-3,17H,1H3,(H2,13,15)
InChIKeyHUKOVAFDUGTDHR-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.37
Rot. Bonds3

About 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide (PubChem CID 81283248) has the molecular formula C10H8F2N4OS2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
PubChem CID81283248
Molecular FormulaC10H8F2N4OS2
Molecular Weight302.33 g/mol
Exact Mass302.01
IUPAC Name3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
SMILESCc1nsc(Sc2c(F)cc(C(N)=NO)cc2F)n1
InChIInChI=1S/C10H8F2N4OS2/c1-4-14-10(19-16-4)18-8-6(11)2-5(3-7(8)12)9(13)15-17/h2-3,17H,1H3,(H2,13,15)
InChIKeyHUKOVAFDUGTDHR-UHFFFAOYSA-N
XLogP2.37
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide (CID 81283248) is 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide is Cc1nsc(Sc2c(F)cc(C(N)=NO)cc2F)n1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is HUKOVAFDUGTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4OS2/c1-4-14-10(19-16-4)18-8-6(11)2-5(3-7(8)12)9(13)15-17/h2-3,17H,1H3,(H2,13,15).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 302.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 81283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).