2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole

C11H7BrN4OS2 — CID 133425685

IUPAC2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESCc1nsc(Sc2nnc(-c3ccc(Br)cc3)o2)n1
InChIInChI=1S/C11H7BrN4OS2/c1-6-13-11(19-16-6)18-10-15-14-9(17-10)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKeyJXAJXNVSOJIMKZ-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (PubChem CID 133425685) has the molecular formula C11H7BrN4OS2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
PubChem CID133425685
Molecular FormulaC11H7BrN4OS2
Molecular Weight355.24 g/mol
Exact Mass353.92
IUPAC Name2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESCc1nsc(Sc2nnc(-c3ccc(Br)cc3)o2)n1
InChIInChI=1S/C11H7BrN4OS2/c1-6-13-11(19-16-6)18-10-15-14-9(17-10)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKeyJXAJXNVSOJIMKZ-UHFFFAOYSA-N
XLogP3.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133425825
2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344
2-(4-bromophenyl)-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 30657321
4-bromo-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzonitrile
CID 114905045
ethyl 5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 116700561
2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427658
4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
CID 172676237
2-(1,3-benzothiazol-2-ylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 78805429
2-(4-bromophenyl)-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 23035412
2-(4-bromophenyl)-5-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 29338368
2-(4-methylphenyl)-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-oxadiazole
CID 56554238
2-(4-bromophenoxy)-N'-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
CID 4801262

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (CID 133425685) is 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is Cc1nsc(Sc2nnc(-c3ccc(Br)cc3)o2)n1.
What is the InChIKey of 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The InChIKey is JXAJXNVSOJIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4OS2/c1-6-13-11(19-16-6)18-10-15-14-9(17-10)7-2-4-8(12)5-3-7/h2-5H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole has a molecular weight of 355.24 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133425685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).