5-bromo-4-pyrrolidin-2-ylthiadiazole

C6H8BrN3S — CID 84697347

IUPAC5-bromo-4-pyrrolidin-2-ylthiadiazole
SMILESBrc1snnc1C1CCCN1
InChIInChI=1S/C6H8BrN3S/c7-6-5(9-10-11-6)4-2-1-3-8-4/h4,8H,1-3H2
InChIKeyBFJJKMQAQUNCIM-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.73
Rot. Bonds1

About 5-bromo-4-pyrrolidin-2-ylthiadiazole

5-bromo-4-pyrrolidin-2-ylthiadiazole (PubChem CID 84697347) has the molecular formula C6H8BrN3S and a molecular weight of 234.12 g/mol. Its IUPAC name is 5-bromo-4-pyrrolidin-2-ylthiadiazole.

Molecular Properties

Compound Name5-bromo-4-pyrrolidin-2-ylthiadiazole
PubChem CID84697347
Molecular FormulaC6H8BrN3S
Molecular Weight234.12 g/mol
Exact Mass232.96
IUPAC Name5-bromo-4-pyrrolidin-2-ylthiadiazole
SMILESBrc1snnc1C1CCCN1
InChIInChI=1S/C6H8BrN3S/c7-6-5(9-10-11-6)4-2-1-3-8-4/h4,8H,1-3H2
InChIKeyBFJJKMQAQUNCIM-UHFFFAOYSA-N
XLogP1.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyrrolidin-2-ylthiatriazole
CID 116985697
(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
CID 131001434
2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride
CID 127256245
5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 87941628
(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
CID 130690046
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
CID 82412366
2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine
CID 84710165

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-pyrrolidin-2-ylthiadiazole?
The IUPAC name of 5-bromo-4-pyrrolidin-2-ylthiadiazole (CID 84697347) is 5-bromo-4-pyrrolidin-2-ylthiadiazole.
What is the SMILES notation for 5-bromo-4-pyrrolidin-2-ylthiadiazole?
The canonical SMILES for 5-bromo-4-pyrrolidin-2-ylthiadiazole is Brc1snnc1C1CCCN1.
What is the InChIKey of 5-bromo-4-pyrrolidin-2-ylthiadiazole?
The InChIKey is BFJJKMQAQUNCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3S/c7-6-5(9-10-11-6)4-2-1-3-8-4/h4,8H,1-3H2.
What are the key properties of 5-bromo-4-pyrrolidin-2-ylthiadiazole?
5-bromo-4-pyrrolidin-2-ylthiadiazole has a molecular weight of 234.12 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-pyrrolidin-2-ylthiadiazole is sourced from PubChem (CID 84697347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).