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

C9H13F3N4S — CID 107304923

IUPACN-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCN2CCCC2)n1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-14-8(17-15-7)13-3-6-16-4-1-2-5-16/h1-6H2,(H,13,14,15)
InChIKeyBLWMKROOBDDSJQ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds4

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

N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304923) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304923
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCN2CCCC2)n1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-14-8(17-15-7)13-3-6-16-4-1-2-5-16/h1-6H2,(H,13,14,15)
InChIKeyBLWMKROOBDDSJQ-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyrrolidin-1-ylethyl)-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-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304923) is N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCN2CCCC2)n1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BLWMKROOBDDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-14-8(17-15-7)13-3-6-16-4-1-2-5-16/h1-6H2,(H,13,14,15).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).