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

C7H10F3N3OS — CID 103151213

IUPACN-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCOCC(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-11-6-12-5(13-15-6)2-3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyAKAAOXWXTPAGMS-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.70
Rot. Bonds5

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

N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103151213) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103151213
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC NameN-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCOCC(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-11-6-12-5(13-15-6)2-3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyAKAAOXWXTPAGMS-UHFFFAOYSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.70
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 N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 103151213) is N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is CNc1nc(CCOCC(F)(F)F)ns1.
What is the InChIKey of N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is AKAAOXWXTPAGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-11-6-12-5(13-15-6)2-3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 241.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103151213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).