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

C9H14F3N3O2S — CID 103151224

IUPACN-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CCOCC(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3O2S/c1-16-5-3-13-8-14-7(15-18-8)2-4-17-6-9(10,11)12/h2-6H2,1H3,(H,13,14,15)
InChIKeySPXSEHFYMOIQAG-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.72
Rot. Bonds8

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

N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103151224) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103151224
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC NameN-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CCOCC(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3O2S/c1-16-5-3-13-8-14-7(15-18-8)2-4-17-6-9(10,11)12/h2-6H2,1H3,(H,13,14,15)
InChIKeySPXSEHFYMOIQAG-UHFFFAOYSA-N
XLogP1.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 103151224) is N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is COCCNc1nc(CCOCC(F)(F)F)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SPXSEHFYMOIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-16-5-3-13-8-14-7(15-18-8)2-4-17-6-9(10,11)12/h2-6H2,1H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 285.29 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103151224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).