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

C7H9F3N4S — CID 107305390

IUPACN-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C(F)(F)F)ns1)C1CNC1
InChIInChI=1S/C7H9F3N4S/c1-14(4-2-11-3-4)6-12-5(13-15-6)7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyDWYPYAWFZVZWBV-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.96
Rot. Bonds2

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

N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305390) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305390
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC NameN-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C(F)(F)F)ns1)C1CNC1
InChIInChI=1S/C7H9F3N4S/c1-14(4-2-11-3-4)6-12-5(13-15-6)7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyDWYPYAWFZVZWBV-UHFFFAOYSA-N
XLogP0.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.96
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-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305390) is N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN(c1nc(C(F)(F)F)ns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DWYPYAWFZVZWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c1-14(4-2-11-3-4)6-12-5(13-15-6)7(8,9)10/h4,11H,2-3H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 238.24 g/mol, XLogP of 0.96, 2 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-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).