3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C8H12F3N3OS — CID 103213281

IUPAC3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)5-15-4-7-14-13-6(16-7)2-1-3-12/h1-5,12H2
InChIKeyXACSUSYEIVAZMZ-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.51
Rot. Bonds6

About 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 103213281) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID103213281
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)5-15-4-7-14-13-6(16-7)2-1-3-12/h1-5,12H2
InChIKeyXACSUSYEIVAZMZ-UHFFFAOYSA-N
XLogP1.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-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 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 103213281) is 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is NCCCc1nnc(COCC(F)(F)F)s1.
What is the InChIKey of 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is XACSUSYEIVAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c9-8(10,11)5-15-4-7-14-13-6(16-7)2-1-3-12/h1-5,12H2.
What are the key properties of 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 255.26 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 103213281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).