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

C11H8BrN3OS — CID 43159277

IUPAC2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2cn3nc(Br)sc3n2)c1
InChIInChI=1S/C11H8BrN3OS/c1-16-8-4-2-3-7(5-8)9-6-15-11(13-9)17-10(12)14-15/h2-6H,1H3
InChIKeyDWAKVOUNEQTVCJ-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.23
Rot. Bonds2

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

2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 43159277) has the molecular formula C11H8BrN3OS and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID43159277
Molecular FormulaC11H8BrN3OS
Molecular Weight310.18 g/mol
Exact Mass308.96
IUPAC Name2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2cn3nc(Br)sc3n2)c1
InChIInChI=1S/C11H8BrN3OS/c1-16-8-4-2-3-7(5-8)9-6-15-11(13-9)17-10(12)14-15/h2-6H,1H3
InChIKeyDWAKVOUNEQTVCJ-UHFFFAOYSA-N
XLogP3.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159278
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-(5-bromo-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155535813
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530
2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155534946
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 86660860
2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 153363294
6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 138581301
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 43159277) is 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cccc(-c2cn3nc(Br)sc3n2)c1.
What is the InChIKey of 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DWAKVOUNEQTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS/c1-16-8-4-2-3-7(5-8)9-6-15-11(13-9)17-10(12)14-15/h2-6H,1H3.
What are the key properties of 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 310.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 43159277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).