2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole

C11H10ClFN2OS2 — CID 47132217

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2c(F)cccc2Cl)o1
InChIInChI=1S/C11H10ClFN2OS2/c1-17-6-10-14-15-11(16-10)18-5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3
InChIKeyLXEJHJRZQZOVFX-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.02
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 47132217) has the molecular formula C11H10ClFN2OS2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID47132217
Molecular FormulaC11H10ClFN2OS2
Molecular Weight304.80 g/mol
Exact Mass303.99
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2c(F)cccc2Cl)o1
InChIInChI=1S/C11H10ClFN2OS2/c1-17-6-10-14-15-11(16-10)18-5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3
InChIKeyLXEJHJRZQZOVFX-UHFFFAOYSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2281056
5-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-3,6-dimethyl-5H-pyrimidine-2,4-dione
CID 74925436
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole
CID 7551999
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 2795754
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 7810645
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 19060518
3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 51289641
tert-butyl N-[1-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
CID 3903544
2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771095
2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2820709
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 37286364
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (CID 47132217) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is CSCc1nnc(SCc2c(F)cccc2Cl)o1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is LXEJHJRZQZOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS2/c1-17-6-10-14-15-11(16-10)18-5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 304.80 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 47132217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).