2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole

C6H2BrClN2S2 — CID 63386076

IUPAC2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
SMILESClc1nnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C6H2BrClN2S2/c7-4-2-1-3(11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyXLXOSBKUMXKABK-UHFFFAOYSA-N
MW281.59 g/mol
LogP3.68
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole

2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole (PubChem CID 63386076) has the molecular formula C6H2BrClN2S2 and a molecular weight of 281.59 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
PubChem CID63386076
Molecular FormulaC6H2BrClN2S2
Molecular Weight281.59 g/mol
Exact Mass279.85
IUPAC Name2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
SMILESClc1nnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C6H2BrClN2S2/c7-4-2-1-3(11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyXLXOSBKUMXKABK-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.59
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole (CID 63386076) is 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole is Clc1nnc(-c2ccc(Br)s2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole?
The InChIKey is XLXOSBKUMXKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2S2/c7-4-2-1-3(11-4)5-9-10-6(8)12-5/h1-2H.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole?
2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole has a molecular weight of 281.59 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole is sourced from PubChem (CID 63386076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).