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

C9H13ClN2S — CID 65405494

IUPAC5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
SMILESCCC1CCC(c2nsc(Cl)n2)C1
InChIInChI=1S/C9H13ClN2S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3
InChIKeyKKSGBOSSGJOMPT-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.49
Rot. Bonds2

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

5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole (PubChem CID 65405494) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
PubChem CID65405494
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole
SMILESCCC1CCC(c2nsc(Cl)n2)C1
InChIInChI=1S/C9H13ClN2S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3
InChIKeyKKSGBOSSGJOMPT-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole (CID 65405494) is 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole is CCC1CCC(c2nsc(Cl)n2)C1.
What is the InChIKey of 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
The InChIKey is KKSGBOSSGJOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/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-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole?
5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole has a molecular weight of 216.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-ethylcyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65405494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).