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

C9H12F3N3S — CID 107305162

IUPACN-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCC1(Nc2nc(C(F)(F)F)ns2)CCC1
InChIInChI=1S/C9H12F3N3S/c1-2-8(4-3-5-8)14-7-13-6(15-16-7)9(10,11)12/h2-5H2,1H3,(H,13,14,15)
InChIKeyDVEDOALZQALRQV-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.30
Rot. Bonds3

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

N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305162) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305162
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCC1(Nc2nc(C(F)(F)F)ns2)CCC1
InChIInChI=1S/C9H12F3N3S/c1-2-8(4-3-5-8)14-7-13-6(15-16-7)9(10,11)12/h2-5H2,1H3,(H,13,14,15)
InChIKeyDVEDOALZQALRQV-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylcyclobutyl)-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-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305162) is N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCC1(Nc2nc(C(F)(F)F)ns2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DVEDOALZQALRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-2-8(4-3-5-8)14-7-13-6(15-16-7)9(10,11)12/h2-5H2,1H3,(H,13,14,15).
What are the key properties of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).