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

C9H12F3N3S2 — CID 107305058

IUPACN-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCCCS2)n1
InChIInChI=1S/C9H12F3N3S2/c10-9(11,12)7-14-8(17-15-7)13-5-6-3-1-2-4-16-6/h6H,1-5H2,(H,13,14,15)
InChIKeyZOUISJZJMNVGQB-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.25
Rot. Bonds3

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

N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305058) has the molecular formula C9H12F3N3S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305058
Molecular FormulaC9H12F3N3S2
Molecular Weight283.34 g/mol
Exact Mass283.04
IUPAC NameN-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCCCS2)n1
InChIInChI=1S/C9H12F3N3S2/c10-9(11,12)7-14-8(17-15-7)13-5-6-3-1-2-4-16-6/h6H,1-5H2,(H,13,14,15)
InChIKeyZOUISJZJMNVGQB-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(thian-2-ylmethyl)-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-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305058) is N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2CCCCS2)n1.
What is the InChIKey of N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZOUISJZJMNVGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S2/c10-9(11,12)7-14-8(17-15-7)13-5-6-3-1-2-4-16-6/h6H,1-5H2,(H,13,14,15).
What are the key properties of N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 283.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).