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

C10H15F3N4S — CID 107304937

IUPACN-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCN2CCCC2)n1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)14-4-3-7-17-5-1-2-6-17/h1-7H2,(H,14,15,16)
InChIKeyWYATYMASUURTCA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.45
Rot. Bonds5

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

N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304937) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304937
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCN2CCCC2)n1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)14-4-3-7-17-5-1-2-6-17/h1-7H2,(H,14,15,16)
InChIKeyWYATYMASUURTCA-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304937) is N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCCN2CCCC2)n1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WYATYMASUURTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)14-4-3-7-17-5-1-2-6-17/h1-7H2,(H,14,15,16).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).