5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole

C8H11BrN2S — CID 102618077

IUPAC5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nsc(Br)n2)C1
InChIInChI=1S/C8H11BrN2S/c1-5-2-3-6(4-5)7-10-8(9)12-11-7/h5-6H,2-4H2,1H3
InChIKeyMXLIINZQICABEB-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.20
Rot. Bonds1

About 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole

5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole (PubChem CID 102618077) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole
PubChem CID102618077
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nsc(Br)n2)C1
InChIInChI=1S/C8H11BrN2S/c1-5-2-3-6(4-5)7-10-8(9)12-11-7/h5-6H,2-4H2,1H3
InChIKeyMXLIINZQICABEB-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole (CID 102618077) is 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole is CC1CCC(c2nsc(Br)n2)C1.
What is the InChIKey of 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole?
The InChIKey is MXLIINZQICABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c1-5-2-3-6(4-5)7-10-8(9)12-11-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole?
5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole has a molecular weight of 247.16 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).