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

C9H13BrN2S — CID 102618106

IUPAC5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
SMILESCCC1CCC(c2nsc(Br)n2)C1
InChIInChI=1S/C9H13BrN2S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3
InChIKeyMILYCLFSOIOWPK-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.59
Rot. Bonds2

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

5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole (PubChem CID 102618106) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
PubChem CID102618106
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
SMILESCCC1CCC(c2nsc(Br)n2)C1
InChIInChI=1S/C9H13BrN2S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3
InChIKeyMILYCLFSOIOWPK-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-cyclopentyl-1,2,4-thiadiazole
CID 65267358
5-Cyclopentyl-3-methyl-1,2,4-thiadiazole
CID 58610436
3-Cyclopentyl-5-methyl-1,2,4-thiadiazole
CID 135170530
5-Bromo-3-(5-methylundecan-5-yl)-1,2,4-thiadiazole
CID 146378563
3-(3-Methylcyclopentyl)-1,2,4-thiadiazol-5-amine
CID 65401062
5-Chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
CID 65405494
3-(3-Ethylcyclopentyl)-1,2,4-thiadiazol-5-amine
CID 65409057
5-Chloro-3-(3-methylcyclopentyl)-1,2,4-thiadiazole
CID 65412657
5-Bromo-3-cyclopentyl-1,2,4-thiadiazole
CID 83895437
5-Bromo-3-cyclohexyl-1,2,4-thiadiazole
CID 83900184
5-Bromo-3-(3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617907
5-Bromo-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazole
CID 102617928

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole (CID 102618106) is 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole is CCC1CCC(c2nsc(Br)n2)C1.
What is the InChIKey of 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
The InChIKey is MILYCLFSOIOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3.
What are the key properties of 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole has a molecular weight of 261.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).