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

C9H13BrN2S — CID 107195213

IUPAC3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole
SMILESCC1(C)CCCC1c1nc(Br)ns1
InChIInChI=1S/C9H13BrN2S/c1-9(2)5-3-4-6(9)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3
InChIKeyXCFXFGQAXYVYOU-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.59
Rot. Bonds1

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

3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole (PubChem CID 107195213) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole
PubChem CID107195213
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole
SMILESCC1(C)CCCC1c1nc(Br)ns1
InChIInChI=1S/C9H13BrN2S/c1-9(2)5-3-4-6(9)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3
InChIKeyXCFXFGQAXYVYOU-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

3-Bromo-5-cyclononyl-1,2,4-thiadiazole
CID 89633646
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-Bromo-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
CID 102618106
5-(2-Bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole
CID 102943183
3-Bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole
CID 102943186
3-Bromo-5-(cyclohexylmethyl)-1,2,4-thiadiazole
CID 102943191
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-(1-methylcyclopentyl)-1,2,4-thiadiazole
CID 102943235
3-Bromo-5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazole
CID 102943255
3-Bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole
CID 102943266

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole (CID 107195213) is 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole is CC1(C)CCCC1c1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole?
The InChIKey is XCFXFGQAXYVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-9(2)5-3-4-6(9)7-11-8(10)12-13-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole?
3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole has a molecular weight of 261.19 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107195213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).