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

C8H11BrN2S — CID 102943235

IUPAC3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole
SMILESCC1(c2nc(Br)ns2)CCCC1
InChIInChI=1S/C8H11BrN2S/c1-8(4-2-3-5-8)6-10-7(9)11-12-6/h2-5H2,1H3
InChIKeyNDLJQUSDCRJIMH-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.13
Rot. Bonds1

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

3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole (PubChem CID 102943235) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole
PubChem CID102943235
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole
SMILESCC1(c2nc(Br)ns2)CCCC1
InChIInChI=1S/C8H11BrN2S/c1-8(4-2-3-5-8)6-10-7(9)11-12-6/h2-5H2,1H3
InChIKeyNDLJQUSDCRJIMH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopentyl-3-methyl-1,2,4-thiadiazole
CID 58610436
3-Cyclopentyl-5-methyl-1,2,4-thiadiazole
CID 135170530
5-(2,4,4-Trimethylpentyl)-1,2,4-thiadiazol-3-amine
CID 64543457
5-(1-Ethylcyclopentyl)-1,2,4-thiadiazol-3-amine
CID 80275552
5-[1-(2-Methylpropyl)cyclopentyl]-1,2,4-thiadiazol-3-amine
CID 80275662
5-(1-Methylcyclopentyl)-1,2,4-thiadiazol-3-amine
CID 80275663
5-Bromo-3-(3-methylcyclopentyl)-1,2,4-thiadiazole
CID 102618077
3-Bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole
CID 102943204
5-(6-Bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole
CID 102943214
3-Bromo-5-hexyl-1,2,4-thiadiazole
CID 102943218
3-Bromo-5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazole
CID 102943255
3-Bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole
CID 102943288

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole (CID 102943235) is 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole is CC1(c2nc(Br)ns2)CCCC1.
What is the InChIKey of 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole?
The InChIKey is NDLJQUSDCRJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c1-8(4-2-3-5-8)6-10-7(9)11-12-6/h2-5H2,1H3.
What are the key properties of 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole?
3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole has a molecular weight of 247.16 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).