N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H10F3N3O2S — CID 107304787

IUPACN-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2COCCO2)n1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-13-7(17-14-6)12-3-5-4-15-1-2-16-5/h5H,1-4H2,(H,12,13,14)
InChIKeyZWGNXIFUFWMHBM-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.38
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304787) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304787
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2COCCO2)n1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-13-7(17-14-6)12-3-5-4-15-1-2-16-5/h5H,1-4H2,(H,12,13,14)
InChIKeyZWGNXIFUFWMHBM-UHFFFAOYSA-N
XLogP1.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617
N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151224
N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476986
N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476987
N-(2-methoxyethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476994
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476995
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105681610
N-(2,3-dimethoxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105700397
N-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304787) is N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2COCCO2)n1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZWGNXIFUFWMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)6-13-7(17-14-6)12-3-5-4-15-1-2-16-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 269.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).