3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine

C8H9F3N4OS — CID 122642788

IUPAC3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
SMILESNC1C=NN(Cc2cnc(C(F)(F)F)s2)CO1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)7-13-1-5(17-7)3-15-4-16-6(12)2-14-15/h1-2,6H,3-4,12H2
InChIKeyVXCVCPJHHRACLC-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.22
Rot. Bonds2

About 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine

3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine (PubChem CID 122642788) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
PubChem CID122642788
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
SMILESNC1C=NN(Cc2cnc(C(F)(F)F)s2)CO1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)7-13-1-5(17-7)3-15-4-16-6(12)2-14-15/h1-2,6H,3-4,12H2
InChIKeyVXCVCPJHHRACLC-UHFFFAOYSA-N
XLogP1.22
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine?
The IUPAC name of 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine (CID 122642788) is 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine.
What is the SMILES notation for 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine?
The canonical SMILES for 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine is NC1C=NN(Cc2cnc(C(F)(F)F)s2)CO1.
What is the InChIKey of 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine?
The InChIKey is VXCVCPJHHRACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c9-8(10,11)7-13-1-5(17-7)3-15-4-16-6(12)2-14-15/h1-2,6H,3-4,12H2.
What are the key properties of 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine?
3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine has a molecular weight of 266.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine is sourced from PubChem (CID 122642788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).