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

C7H10F3N3OS — CID 64983017

IUPAC5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCOCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-5-12-13-6(15-5)11-2-3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyYVYHIEINABWFPD-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.84
Rot. Bonds5

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

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64983017) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64983017
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCOCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-5-12-13-6(15-5)11-2-3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyYVYHIEINABWFPD-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 64983017) is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCOCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YVYHIEINABWFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-5-12-13-6(15-5)11-2-3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 241.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64983017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).