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

C9H8F3N3S2 — CID 114448118

IUPACN-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCCc2cccs2)s1
InChIInChI=1S/C9H8F3N3S2/c10-9(11,12)7-14-15-8(17-7)13-4-3-6-2-1-5-16-6/h1-2,5H,3-4H2,(H,13,15)
InChIKeyRYZUICFKJYRWQJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.27
Rot. Bonds4

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

N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448118) has the molecular formula C9H8F3N3S2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448118
Molecular FormulaC9H8F3N3S2
Molecular Weight279.31 g/mol
Exact Mass279.01
IUPAC NameN-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCCc2cccs2)s1
InChIInChI=1S/C9H8F3N3S2/c10-9(11,12)7-14-15-8(17-7)13-4-3-6-2-1-5-16-6/h1-2,5H,3-4H2,(H,13,15)
InChIKeyRYZUICFKJYRWQJ-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448118) is N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCCc2cccs2)s1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RYZUICFKJYRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S2/c10-9(11,12)7-14-15-8(17-7)13-4-3-6-2-1-5-16-6/h1-2,5H,3-4H2,(H,13,15).
What are the key properties of N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).