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

C11H16F3N3S — CID 107304970

IUPACN-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(Nc2nc(C(F)(F)F)ns2)C(C)C1
InChIInChI=1S/C11H16F3N3S/c1-6-3-4-8(7(2)5-6)15-10-16-9(17-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeySHIXXFBNHLQUSH-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.79
Rot. Bonds2

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

N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304970) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304970
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(Nc2nc(C(F)(F)F)ns2)C(C)C1
InChIInChI=1S/C11H16F3N3S/c1-6-3-4-8(7(2)5-6)15-10-16-9(17-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeySHIXXFBNHLQUSH-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylcyclohexyl)-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-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304970) is N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1CCC(Nc2nc(C(F)(F)F)ns2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SHIXXFBNHLQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-6-3-4-8(7(2)5-6)15-10-16-9(17-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 279.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).