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

C6H9F2N3OS — CID 103146580

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C6H9F2N3OS/c7-4(8)3-12-2-1-5-10-6(9)13-11-5/h4H,1-3H2,(H2,9,10,11)
InChIKeyPMXHOUZWKWULNY-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.94
Rot. Bonds5

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

3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103146580) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103146580
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CCOCC(F)F)ns1
InChIInChI=1S/C6H9F2N3OS/c7-4(8)3-12-2-1-5-10-6(9)13-11-5/h4H,1-3H2,(H2,9,10,11)
InChIKeyPMXHOUZWKWULNY-UHFFFAOYSA-N
XLogP0.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.94
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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Related Compounds

3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146581
5-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151207
5-Chloro-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151208
5-Bromo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151209
5-Bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151210
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151211
3-[2-(2,2-Difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
CID 103151212
N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151213
3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 103151214
N-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151215

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 103146580) is 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is Nc1nc(CCOCC(F)F)ns1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PMXHOUZWKWULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c7-4(8)3-12-2-1-5-10-6(9)13-11-5/h4H,1-3H2,(H2,9,10,11).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 209.22 g/mol, XLogP of 0.94, 5 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]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103146580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).