2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole

C6H2BrIN2OS — CID 114771246

IUPAC2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
SMILESBrc1nnc(-c2csc(I)c2)o1
InChIInChI=1S/C6H2BrIN2OS/c7-6-10-9-5(11-6)3-1-4(8)12-2-3/h1-2H
InChIKeySYMGXMZPVPMDKY-UHFFFAOYSA-N
MW356.97 g/mol
LogP3.17
Rot. Bonds1

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

2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole (PubChem CID 114771246) has the molecular formula C6H2BrIN2OS and a molecular weight of 356.97 g/mol. Its IUPAC name is 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
PubChem CID114771246
Molecular FormulaC6H2BrIN2OS
Molecular Weight356.97 g/mol
Exact Mass355.81
IUPAC Name2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
SMILESBrc1nnc(-c2csc(I)c2)o1
InChIInChI=1S/C6H2BrIN2OS/c7-6-10-9-5(11-6)3-1-4(8)12-2-3/h1-2H
InChIKeySYMGXMZPVPMDKY-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-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
CID 114770866
3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
CID 130735503
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79684730
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine
CID 79690654
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
4-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771370
3-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771083
[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 84708076
2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole (CID 114771246) is 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole is Brc1nnc(-c2csc(I)c2)o1.
What is the InChIKey of 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
The InChIKey is SYMGXMZPVPMDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrIN2OS/c7-6-10-9-5(11-6)3-1-4(8)12-2-3/h1-2H.
What are the key properties of 2-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
2-bromo-5-(5-iodothiophen-3-yl)-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-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).