5-cyclopentyl-3-methyl-1,2,4-thiadiazole

C8H12N2S — CID 58610436

IUPAC5-cyclopentyl-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C2CCCC2)n1
InChIInChI=1S/C8H12N2S/c1-6-9-8(11-10-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyHLHWSIZYQFZTDW-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.50
Rot. Bonds1

About 5-cyclopentyl-3-methyl-1,2,4-thiadiazole

5-cyclopentyl-3-methyl-1,2,4-thiadiazole (PubChem CID 58610436) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-cyclopentyl-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclopentyl-3-methyl-1,2,4-thiadiazole
PubChem CID58610436
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-cyclopentyl-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C2CCCC2)n1
InChIInChI=1S/C8H12N2S/c1-6-9-8(11-10-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyHLHWSIZYQFZTDW-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-cyclopentyl-3-methyl-1,2,4-thiadiazole (CID 58610436) is 5-cyclopentyl-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclopentyl-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclopentyl-3-methyl-1,2,4-thiadiazole is Cc1nsc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-methyl-1,2,4-thiadiazole?
The InChIKey is HLHWSIZYQFZTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-9-8(11-10-6)7-4-2-3-5-7/h7H,2-5H2,1H3.
What are the key properties of 5-cyclopentyl-3-methyl-1,2,4-thiadiazole?
5-cyclopentyl-3-methyl-1,2,4-thiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).