1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine

C8H13F2N3OS — CID 103213286

IUPAC1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(CCOCC(F)F)s1
InChIInChI=1S/C8H13F2N3OS/c1-5(11)8-13-12-7(15-8)2-3-14-4-6(9)10/h5-6H,2-4,11H2,1H3
InChIKeyQOKYIXJONOBNKH-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.38
Rot. Bonds6

About 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine

1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 103213286) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID103213286
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(CCOCC(F)F)s1
InChIInChI=1S/C8H13F2N3OS/c1-5(11)8-13-12-7(15-8)2-3-14-4-6(9)10/h5-6H,2-4,11H2,1H3
InChIKeyQOKYIXJONOBNKH-UHFFFAOYSA-N
XLogP1.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.38
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 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine (CID 103213286) is 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine is CC(N)c1nnc(CCOCC(F)F)s1.
What is the InChIKey of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is QOKYIXJONOBNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-5(11)8-13-12-7(15-8)2-3-14-4-6(9)10/h5-6H,2-4,11H2,1H3.
What are the key properties of 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 237.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 103213286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).