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'}

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Related Compounds

3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 91644106
N-[4-[(tert-butylsulfanylamino)methyl]cyclohexyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 89986770
N-[(1-propylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701360
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-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
N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106128078
2,2-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106142608
2-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106155171

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).