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

C8H10F3N3OS — CID 107304730

IUPACN-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2CCOCC2)n1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-5-1-3-15-4-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyJTBYRXTWKCVTRZ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.15
Rot. Bonds2

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

N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304730) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304730
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2CCOCC2)n1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-5-1-3-15-4-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyJTBYRXTWKCVTRZ-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304730) is N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NC2CCOCC2)n1.
What is the InChIKey of N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JTBYRXTWKCVTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-5-1-3-15-4-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).