3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine

C8H11F3N4S — CID 107306266

IUPAC3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
SMILESCCC1(N)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H11F3N4S/c1-2-7(12)3-15(4-7)6-13-5(14-16-6)8(9,10)11/h2-4,12H2,1H3
InChIKeyQKHZYDUTEJZKFT-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.48
Rot. Bonds2

About 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine

3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine (PubChem CID 107306266) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine.

Molecular Properties

Compound Name3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
PubChem CID107306266
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
SMILESCCC1(N)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H11F3N4S/c1-2-7(12)3-15(4-7)6-13-5(14-16-6)8(9,10)11/h2-4,12H2,1H3
InChIKeyQKHZYDUTEJZKFT-UHFFFAOYSA-N
XLogP1.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
3-N-methyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304488
5-(3,3-Dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304583
2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107304789
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107304867
1-N,1-N-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107305081
2-ethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305360
3-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305369
3-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305375
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
CID 107305376
5-(2,2-Dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305377
N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305390

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The IUPAC name of 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine (CID 107306266) is 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine.
What is the SMILES notation for 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The canonical SMILES for 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine is CCC1(N)CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The InChIKey is QKHZYDUTEJZKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-2-7(12)3-15(4-7)6-13-5(14-16-6)8(9,10)11/h2-4,12H2,1H3.
What are the key properties of 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine has a molecular weight of 252.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine is sourced from PubChem (CID 107306266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).