3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C10H17N3OS — CID 65268061

IUPAC3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCCC2)ns1
InChIInChI=1S/C10H17N3OS/c1-14-7-6-11-10-12-9(13-15-10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyWGECBUGFPKLWKA-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.25
Rot. Bonds5

About 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268061) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268061
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCCC2)ns1
InChIInChI=1S/C10H17N3OS/c1-14-7-6-11-10-12-9(13-15-10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyWGECBUGFPKLWKA-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65268061) is 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CCCC2)ns1.
What is the InChIKey of 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WGECBUGFPKLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-7-6-11-10-12-9(13-15-10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).