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

C8H11F3N4S — CID 107305391

IUPACN-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(c1nc(C(F)(F)F)ns1)C1CNC1
InChIInChI=1S/C8H11F3N4S/c1-2-15(5-3-12-4-5)7-13-6(14-16-7)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyRCNVSVNBQNFKDT-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.36
Rot. Bonds3

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

N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305391) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305391
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC NameN-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(c1nc(C(F)(F)F)ns1)C1CNC1
InChIInChI=1S/C8H11F3N4S/c1-2-15(5-3-12-4-5)7-13-6(14-16-7)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyRCNVSVNBQNFKDT-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305391) is N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCN(c1nc(C(F)(F)F)ns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RCNVSVNBQNFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-2-15(5-3-12-4-5)7-13-6(14-16-7)8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 252.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).