2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

C10H5BrClN3S — CID 43159278

IUPAC2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1cccc(-c2cn3nc(Br)sc3n2)c1
InChIInChI=1S/C10H5BrClN3S/c11-9-14-15-5-8(13-10(15)16-9)6-2-1-3-7(12)4-6/h1-5H
InChIKeyHZVJAAQQZPKXQH-UHFFFAOYSA-N
MW314.60 g/mol
LogP3.87
Rot. Bonds1

About 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 43159278) has the molecular formula C10H5BrClN3S and a molecular weight of 314.60 g/mol. Its IUPAC name is 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID43159278
Molecular FormulaC10H5BrClN3S
Molecular Weight314.60 g/mol
Exact Mass312.91
IUPAC Name2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1cccc(-c2cn3nc(Br)sc3n2)c1
InChIInChI=1S/C10H5BrClN3S/c11-9-14-15-5-8(13-10(15)16-9)6-2-1-3-7(12)4-6/h1-5H
InChIKeyHZVJAAQQZPKXQH-UHFFFAOYSA-N
XLogP3.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230
5-bromo-2-(3-chlorophenyl)imidazo[1,2-a]pyridine
CID 117133012
6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646686
2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 115280232
2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155534946
2-bromo-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2,2-dimethylpropane
CID 145380200
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065
6-(3-bromo-4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646691
3-(3-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 118723461
2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159283
2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 83125234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 43159278) is 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is Clc1cccc(-c2cn3nc(Br)sc3n2)c1.
What is the InChIKey of 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is HZVJAAQQZPKXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3S/c11-9-14-15-5-8(13-10(15)16-9)6-2-1-3-7(12)4-6/h1-5H.
What are the key properties of 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 314.60 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 43159278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).