3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 65409057

IUPAC3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(c2nsc(N)n2)C1
InChIInChI=1S/C9H15N3S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyPFDZVCSFJOKJDJ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.41
Rot. Bonds2

About 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine

3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65409057) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine
PubChem CID65409057
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(c2nsc(N)n2)C1
InChIInChI=1S/C9H15N3S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyPFDZVCSFJOKJDJ-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine (CID 65409057) is 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine is CCC1CCC(c2nsc(N)n2)C1.
What is the InChIKey of 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PFDZVCSFJOKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-6-3-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine?
3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclopentyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65409057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).