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

C6H2BrIN2OS — CID 114771758

IUPAC2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1ccsc1-c1nnc(I)o1
InChIInChI=1S/C6H2BrIN2OS/c7-3-1-2-12-4(3)5-9-10-6(8)11-5/h1-2H
InChIKeyIOWATSYIVWPBHV-UHFFFAOYSA-N
MW356.97 g/mol
LogP3.17
Rot. Bonds1

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

2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771758) has the molecular formula C6H2BrIN2OS and a molecular weight of 356.97 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771758
Molecular FormulaC6H2BrIN2OS
Molecular Weight356.97 g/mol
Exact Mass355.81
IUPAC Name2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
SMILESBrc1ccsc1-c1nnc(I)o1
InChIInChI=1S/C6H2BrIN2OS/c7-3-1-2-12-4(3)5-9-10-6(8)11-5/h1-2H
InChIKeyIOWATSYIVWPBHV-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-(1-chloroethyl)-1,3,4-oxadiazole
CID 63796850
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
CID 164653970
2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771810
1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 63799994
2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 63798602
2-(3-bromothiophen-2-yl)-1,3-benzoxazol-5-amine
CID 63797921
2-(3-bromothiophen-2-yl)pyridine
CID 15937584
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole
CID 47302086
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 103407386

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole (CID 114771758) is 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole is Brc1ccsc1-c1nnc(I)o1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is IOWATSYIVWPBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrIN2OS/c7-3-1-2-12-4(3)5-9-10-6(8)11-5/h1-2H.
What are the key properties of 2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
2-(3-bromothiophen-2-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-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).