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

C11H10ClFN2OS2 — CID 52542751

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H10ClFN2OS2/c1-17-6-10-14-15-11(16-10)18-5-7-2-3-8(13)4-9(7)12/h2-4H,5-6H2,1H3
InChIKeyBIDNBTISXWJCAQ-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.02
Rot. Bonds5

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

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 52542751) has the molecular formula C11H10ClFN2OS2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID52542751
Molecular FormulaC11H10ClFN2OS2
Molecular Weight304.80 g/mol
Exact Mass303.99
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2ccc(F)cc2Cl)o1
InChIInChI=1S/C11H10ClFN2OS2/c1-17-6-10-14-15-11(16-10)18-5-7-2-3-8(13)4-9(7)12/h2-4H,5-6H2,1H3
InChIKeyBIDNBTISXWJCAQ-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

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

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

Launch Full Analysis

Related Compounds

2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethylamine
CID 16682348
2-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5854588
2-(5-((2-Chloro-6-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603367
2-[(2-Chloro-4-fluorobenzyl)thio]-5-methyl-1,3,4-thiadiazole
CID 2954178
N-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 1438565
2-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 8903014
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-[(2,4-Dichlorobenzyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 1080103
2-{5-[(2-Chloro-6-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 663223
2-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 933178

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (CID 52542751) is 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is CSCc1nnc(SCc2ccc(F)cc2Cl)o1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is BIDNBTISXWJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS2/c1-17-6-10-14-15-11(16-10)18-5-7-2-3-8(13)4-9(7)12/h2-4H,5-6H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
2-[(2-chloro-4-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-4-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 52542751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).