3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine

C7H11F2N3OS — CID 103151214

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C7H11F2N3OS/c1-10-7-11-6(12-14-7)2-3-13-4-5(8)9/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyANJOJDPLTCSQIQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.40
Rot. Bonds6

About 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine

3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 103151214) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID103151214
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C7H11F2N3OS/c1-10-7-11-6(12-14-7)2-3-13-4-5(8)9/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyANJOJDPLTCSQIQ-UHFFFAOYSA-N
XLogP1.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-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 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 103151214) is 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(CCOCC(F)F)ns1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ANJOJDPLTCSQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c1-10-7-11-6(12-14-7)2-3-13-4-5(8)9/h5H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 223.25 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103151214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).