N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

C8H12F3N3OS — CID 79964782

IUPACN-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-15-5-4-12-7-13-6(14-16-7)2-3-8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeyHZTJADZMWSQNQA-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.09
Rot. Bonds6

About N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 79964782) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID79964782
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC NameN-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-15-5-4-12-7-13-6(14-16-7)2-3-8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeyHZTJADZMWSQNQA-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 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 ≤ 52.09
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-(3,3,3-trifluoropropyl)-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-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 79964782) is N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(CCC(F)(F)F)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HZTJADZMWSQNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-15-5-4-12-7-13-6(14-16-7)2-3-8(9,10)11/h2-5H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79964782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).