3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine

C5H6F3N3OS — CID 103473439

IUPAC3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(COCC(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)2-12-1-3-10-4(9)13-11-3/h1-2H2,(H2,9,10,11)
InChIKeyWNFMTVYIXIPYRO-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.20
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine

3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103473439) has the molecular formula C5H6F3N3OS and a molecular weight of 213.18 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103473439
Molecular FormulaC5H6F3N3OS
Molecular Weight213.18 g/mol
Exact Mass213.02
IUPAC Name3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(COCC(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)2-12-1-3-10-4(9)13-11-3/h1-2H2,(H2,9,10,11)
InChIKeyWNFMTVYIXIPYRO-UHFFFAOYSA-N
XLogP1.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 21688992
3-[Difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole
CID 148542726
3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146580
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146581
3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103473440
5-Chloro-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476976
5-Chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476977
5-Bromo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476978
5-Bromo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476979
5-Iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476980
5-Iodo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476981
N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476982

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine (CID 103473439) is 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine is Nc1nc(COCC(F)(F)F)ns1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WNFMTVYIXIPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3OS/c6-5(7,8)2-12-1-3-10-4(9)13-11-3/h1-2H2,(H2,9,10,11).
What are the key properties of 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine?
3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103473439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).