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

C8H13F2N3OS — CID 103151216

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C8H13F2N3OS/c1-2-11-8-12-7(13-15-8)3-4-14-5-6(9)10/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyVLSZKNMCMQCMGU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.79
Rot. Bonds7

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

3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 103151216) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID103151216
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C8H13F2N3OS/c1-2-11-8-12-7(13-15-8)3-4-14-5-6(9)10/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyVLSZKNMCMQCMGU-UHFFFAOYSA-N
XLogP1.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine (CID 103151216) is 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine is CCNc1nc(CCOCC(F)F)ns1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VLSZKNMCMQCMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-2-11-8-12-7(13-15-8)3-4-14-5-6(9)10/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine?
3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 237.27 g/mol, XLogP of 1.79, 7 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-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103151216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).