N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C9H14F3N3OS — CID 113435288

IUPACN-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H14F3N3OS/c1-16-6-5-13-4-2-3-7-14-15-8(17-7)9(10,11)12/h13H,2-6H2,1H3
InChIKeyCVGUXGWLYZYOPJ-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.73
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 113435288) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID113435288
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC NameN-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H14F3N3OS/c1-16-6-5-13-4-2-3-7-14-15-8(17-7)9(10,11)12/h13H,2-6H2,1H3
InChIKeyCVGUXGWLYZYOPJ-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-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 N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 113435288) is N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is COCCNCCCc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is CVGUXGWLYZYOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-16-6-5-13-4-2-3-7-14-15-8(17-7)9(10,11)12/h13H,2-6H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 269.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 113435288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).