3-cyclopentyl-1,2,4-thiadiazol-5-amine

C7H11N3S — CID 60923099

IUPAC3-cyclopentyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCC2)ns1
InChIInChI=1S/C7H11N3S/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyIKRIQQIAOZBZNZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.78
Rot. Bonds1

About 3-cyclopentyl-1,2,4-thiadiazol-5-amine

3-cyclopentyl-1,2,4-thiadiazol-5-amine (PubChem CID 60923099) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-cyclopentyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopentyl-1,2,4-thiadiazol-5-amine
PubChem CID60923099
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name3-cyclopentyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCC2)ns1
InChIInChI=1S/C7H11N3S/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyIKRIQQIAOZBZNZ-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopentyl-1,2,4-thiadiazol-5-amine (CID 60923099) is 3-cyclopentyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopentyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopentyl-1,2,4-thiadiazol-5-amine is Nc1nc(C2CCCC2)ns1.
What is the InChIKey of 3-cyclopentyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IKRIQQIAOZBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10).
What are the key properties of 3-cyclopentyl-1,2,4-thiadiazol-5-amine?
3-cyclopentyl-1,2,4-thiadiazol-5-amine has a molecular weight of 169.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 60923099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).