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

C9H12F3N3S — CID 107304944

IUPACN-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3S/c1-5-3-2-4-6(5)13-8-14-7(15-16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyHRHUFPGOIAAETA-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.16
Rot. Bonds2

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

N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304944) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304944
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3S/c1-5-3-2-4-6(5)13-8-14-7(15-16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyHRHUFPGOIAAETA-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylcyclopentyl)-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

Related Compounds

N-[4-[(tert-butylsulfanylamino)methyl]cyclohexyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 89986770
3-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854620
N-[(1-propylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701360
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758462
N-(2-ethylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758902
N-(2-propylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105778734
N-[(1-methylsulfanylcyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105824472
N-[(1-ethylcyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105896438
N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106012675
N-octan-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106026591
N-[(3-chlorocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106123998
N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106126618

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304944) is N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1CCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HRHUFPGOIAAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-5-3-2-4-6(5)13-8-14-7(15-16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).