2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole

C10H9FN2OS2 — CID 141463348

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(CSc2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2OS2/c1-15-10-13-12-9(14-10)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyXZTXFIRYUPETTE-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.22
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole

2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 141463348) has the molecular formula C10H9FN2OS2 and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID141463348
Molecular FormulaC10H9FN2OS2
Molecular Weight256.33 g/mol
Exact Mass256.01
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(CSc2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2OS2/c1-15-10-13-12-9(14-10)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyXZTXFIRYUPETTE-UHFFFAOYSA-N
XLogP3.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234042
2-((3-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 52142401
2-[1-(Benzenesulfonyl)propyl]-5-pentylsulfanyl-1,3,4-oxadiazole
CID 15954023
2-[1-(Benzenesulfonyl)ethyl]-5-butylsulfanyl-1,3,4-oxadiazole
CID 15954024
Methyl 2-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 15954026
2-(Benzenesulfonylmethyl)-5-butylsulfanyl-1,3,4-oxadiazole
CID 15954027
5-[(Phenylthio)methyl]-1,3,4-oxadiazol-2-amine
CID 33678291
2-Benzenesulfonylmethyl-5-trifluoromethyl-[1,3,4]oxadiazole
CID 67267429
2-Benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463332
2-Ethylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463346
2-Ethylsulfanyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 141517465

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole (CID 141463348) is 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(CSc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is XZTXFIRYUPETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS2/c1-15-10-13-12-9(14-10)6-16-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 256.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141463348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).