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

C10H17F2N3OS — CID 103151223

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C10H17F2N3OS/c1-7(2)5-13-10-14-9(15-17-10)3-4-16-6-8(11)12/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyKQVCYQUDYQEZNX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.43
Rot. Bonds8

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

3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103151223) has the molecular formula C10H17F2N3OS and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID103151223
Molecular FormulaC10H17F2N3OS
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C10H17F2N3OS/c1-7(2)5-13-10-14-9(15-17-10)3-4-16-6-8(11)12/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyKQVCYQUDYQEZNX-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.43
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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 103151223) is 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(CCOCC(F)F)ns1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KQVCYQUDYQEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3OS/c1-7(2)5-13-10-14-9(15-17-10)3-4-16-6-8(11)12/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.33 g/mol, XLogP of 2.43, 8 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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103151223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).