2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole

C6H2BrIN2OS — CID 164653970

IUPAC2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1sccc1-c1nnc(I)o1
InChIInChI=1S/C6H2BrIN2OS/c7-4-3(1-2-12-4)5-9-10-6(8)11-5/h1-2H
InChIKeySBUFLNZILWYBOG-UHFFFAOYSA-N
MW356.97 g/mol
LogP3.17
Rot. Bonds1

About 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole

2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole (PubChem CID 164653970) has the molecular formula C6H2BrIN2OS and a molecular weight of 356.97 g/mol. Its IUPAC name is 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
PubChem CID164653970
Molecular FormulaC6H2BrIN2OS
Molecular Weight356.97 g/mol
Exact Mass355.81
IUPAC Name2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1sccc1-c1nnc(I)o1
InChIInChI=1S/C6H2BrIN2OS/c7-4-3(1-2-12-4)5-9-10-6(8)11-5/h1-2H
InChIKeySBUFLNZILWYBOG-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.97
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771758
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde
CID 164661632
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole
CID 75365488
2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771810
2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole
CID 106690827
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 114771755
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole (CID 164653970) is 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole is Brc1sccc1-c1nnc(I)o1.
What is the InChIKey of 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is SBUFLNZILWYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrIN2OS/c7-4-3(1-2-12-4)5-9-10-6(8)11-5/h1-2H.
What are the key properties of 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole?
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 356.97 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 164653970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).