2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole

C5H7BrN2OS — CID 114771387

IUPAC2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
SMILESCSCCc1nnc(Br)o1
InChIInChI=1S/C5H7BrN2OS/c1-10-3-2-4-7-8-5(6)9-4/h2-3H2,1H3
InChIKeyDMTWVAJZXFADOZ-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.74
Rot. Bonds3

About 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole

2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole (PubChem CID 114771387) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
PubChem CID114771387
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
SMILESCSCCc1nnc(Br)o1
InChIInChI=1S/C5H7BrN2OS/c1-10-3-2-4-7-8-5(6)9-4/h2-3H2,1H3
InChIKeyDMTWVAJZXFADOZ-UHFFFAOYSA-N
XLogP1.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 114771093
5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619621
2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771401
ethyl 5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619358
2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
CID 114771328
2-(2,2-dimethylpropyl)-5-(3-methylsulfanylpropyl)-1,3,4-oxadiazole
CID 139483760
2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
CID 164651903
2-[5-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81444361
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 82490201
3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
CID 130670162

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole (CID 114771387) is 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole is CSCCc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole?
The InChIKey is DMTWVAJZXFADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c1-10-3-2-4-7-8-5(6)9-4/h2-3H2,1H3.
What are the key properties of 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole?
2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole has a molecular weight of 223.09 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).