5-bromo-4-piperidin-3-ylthiadiazole

C7H10BrN3S — CID 84706462

IUPAC5-bromo-4-piperidin-3-ylthiadiazole
SMILESBrc1snnc1C1CCCNC1
InChIInChI=1S/C7H10BrN3S/c8-7-6(10-11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2
InChIKeyCAXVEOQPMCMWNI-UHFFFAOYSA-N
MW248.15 g/mol
LogP1.77
Rot. Bonds1

About 5-bromo-4-piperidin-3-ylthiadiazole

5-bromo-4-piperidin-3-ylthiadiazole (PubChem CID 84706462) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is 5-bromo-4-piperidin-3-ylthiadiazole.

Molecular Properties

Compound Name5-bromo-4-piperidin-3-ylthiadiazole
PubChem CID84706462
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC Name5-bromo-4-piperidin-3-ylthiadiazole
SMILESBrc1snnc1C1CCCNC1
InChIInChI=1S/C7H10BrN3S/c8-7-6(10-11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2
InChIKeyCAXVEOQPMCMWNI-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-piperidin-3-ylthiadiazole
CID 84671976
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
4-[(3R)-piperidin-3-yl]thiadiazole
CID 92567768
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
CID 84608514
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
3-(4-bromofuran-3-yl)piperidine
CID 82390956
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
3-(2H-tetrazol-5-yl)piperidine
CID 10374637
5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
CID 83839530
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-piperidin-3-ylthiadiazole?
The IUPAC name of 5-bromo-4-piperidin-3-ylthiadiazole (CID 84706462) is 5-bromo-4-piperidin-3-ylthiadiazole.
What is the SMILES notation for 5-bromo-4-piperidin-3-ylthiadiazole?
The canonical SMILES for 5-bromo-4-piperidin-3-ylthiadiazole is Brc1snnc1C1CCCNC1.
What is the InChIKey of 5-bromo-4-piperidin-3-ylthiadiazole?
The InChIKey is CAXVEOQPMCMWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3S/c8-7-6(10-11-12-7)5-2-1-3-9-4-5/h5,9H,1-4H2.
What are the key properties of 5-bromo-4-piperidin-3-ylthiadiazole?
5-bromo-4-piperidin-3-ylthiadiazole has a molecular weight of 248.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-piperidin-3-ylthiadiazole is sourced from PubChem (CID 84706462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).