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

C8H12F3N3S2 — CID 107305160

IUPACN-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S2/c1-15-5-3-2-4-12-7-13-6(14-16-7)8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeyWYDLBPQYERHYKZ-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.11
Rot. Bonds6

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

N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305160) has the molecular formula C8H12F3N3S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305160
Molecular FormulaC8H12F3N3S2
Molecular Weight271.33 g/mol
Exact Mass271.04
IUPAC NameN-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3S2/c1-15-5-3-2-4-12-7-13-6(14-16-7)8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeyWYDLBPQYERHYKZ-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methylsulfanylbutyl)-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-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305160) is N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CSCCCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WYDLBPQYERHYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S2/c1-15-5-3-2-4-12-7-13-6(14-16-7)8(9,10)11/h2-5H2,1H3,(H,12,13,14).
What are the key properties of N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 271.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).