5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole

C11H9BrN2S — CID 130571869

IUPAC5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole
SMILESBrc1nc(-c2ccc3c(c2)CCC3)ns1
InChIInChI=1S/C11H9BrN2S/c12-11-13-10(14-15-11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKeyFKTZHJIBLFRZJX-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.46
Rot. Bonds1

About 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole

5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole (PubChem CID 130571869) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole
PubChem CID130571869
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole
SMILESBrc1nc(-c2ccc3c(c2)CCC3)ns1
InChIInChI=1S/C11H9BrN2S/c12-11-13-10(14-15-11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKeyFKTZHJIBLFRZJX-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
CID 83901137
6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile
CID 116862635
5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole
CID 130900532
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
CID 63548842
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
5-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 141092237
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
4,7-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
CID 63496786
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
2-bromo-6-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-b]pyridazine
CID 116854761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole (CID 130571869) is 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole is Brc1nc(-c2ccc3c(c2)CCC3)ns1.
What is the InChIKey of 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole?
The InChIKey is FKTZHJIBLFRZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-11-13-10(14-15-11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2.
What are the key properties of 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole?
5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole has a molecular weight of 281.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130571869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).