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

C9H10F3N5S — CID 107305119

IUPACN-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCn2cccn2)n1
InChIInChI=1S/C9H10F3N5S/c10-9(11,12)7-15-8(18-16-7)13-3-1-5-17-6-2-4-14-17/h2,4,6H,1,3,5H2,(H,13,15,16)
InChIKeyUZLKADAWVLBZEJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.26
Rot. Bonds5

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

N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305119) has the molecular formula C9H10F3N5S and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305119
Molecular FormulaC9H10F3N5S
Molecular Weight277.28 g/mol
Exact Mass277.06
IUPAC NameN-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCn2cccn2)n1
InChIInChI=1S/C9H10F3N5S/c10-9(11,12)7-15-8(18-16-7)13-3-1-5-17-6-2-4-14-17/h2,4,6H,1,3,5H2,(H,13,15,16)
InChIKeyUZLKADAWVLBZEJ-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305119) is N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCCn2cccn2)n1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UZLKADAWVLBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5S/c10-9(11,12)7-15-8(18-16-7)13-3-1-5-17-6-2-4-14-17/h2,4,6H,1,3,5H2,(H,13,15,16).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 277.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).