N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H16F3N3S — CID 106012675

IUPACN-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCC2CCCC2)n1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)9-16-10(18-17-9)15-7-3-6-8-4-1-2-5-8/h8H,1-7H2,(H,15,16,17)
InChIKeyVFEKBRZRJPRPJH-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.94
Rot. Bonds5

About N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106012675) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID106012675
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCC2CCCC2)n1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)9-16-10(18-17-9)15-7-3-6-8-4-1-2-5-8/h8H,1-7H2,(H,15,16,17)
InChIKeyVFEKBRZRJPRPJH-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-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 N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 106012675) is N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCCC2CCCC2)n1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VFEKBRZRJPRPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c12-11(13,14)9-16-10(18-17-9)15-7-3-6-8-4-1-2-5-8/h8H,1-7H2,(H,15,16,17).
What are the key properties of N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 279.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106012675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).