2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole

C11H7BrN4OS2 — CID 2532092

IUPAC2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CSc2nncs2)o1
InChIInChI=1S/C11H7BrN4OS2/c12-8-4-2-1-3-7(8)10-15-14-9(17-10)5-18-11-16-13-6-19-11/h1-4,6H,5H2
InChIKeyUGOLPIKNPUIBHL-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 2532092) has the molecular formula C11H7BrN4OS2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID2532092
Molecular FormulaC11H7BrN4OS2
Molecular Weight355.24 g/mol
Exact Mass353.92
IUPAC Name2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CSc2nncs2)o1
InChIInChI=1S/C11H7BrN4OS2/c12-8-4-2-1-3-7(8)10-15-14-9(17-10)5-18-11-16-13-6-19-11/h1-4,6H,5H2
InChIKeyUGOLPIKNPUIBHL-UHFFFAOYSA-N
XLogP3.64
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 41488022
2-phenyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2106171
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]aniline
CID 43249000
5-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 2501661
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
4-[5-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 60588645
2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 8706404
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66229712
2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30765253
2-(2-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2606732
2-(2-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2623215

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 2532092) is 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole is Brc1ccccc1-c1nnc(CSc2nncs2)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is UGOLPIKNPUIBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4OS2/c12-8-4-2-1-3-7(8)10-15-14-9(17-10)5-18-11-16-13-6-19-11/h1-4,6H,5H2.
What are the key properties of 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 355.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2532092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).