2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione

C8H5F3N4O2S — CID 118190640

IUPAC2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(Cc2cnc(C(F)(F)F)s2)c(=O)[nH]1
InChIInChI=1S/C8H5F3N4O2S/c9-8(10,11)6-12-1-4(18-6)3-15-7(17)14-5(16)2-13-15/h1-2H,3H2,(H,14,16,17)
InChIKeyBKUCYGLEPQXVQR-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.46
Rot. Bonds2

About 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione

2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione (PubChem CID 118190640) has the molecular formula C8H5F3N4O2S and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione
PubChem CID118190640
Molecular FormulaC8H5F3N4O2S
Molecular Weight278.22 g/mol
Exact Mass278.01
IUPAC Name2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(Cc2cnc(C(F)(F)F)s2)c(=O)[nH]1
InChIInChI=1S/C8H5F3N4O2S/c9-8(10,11)6-12-1-4(18-6)3-15-7(17)14-5(16)2-13-15/h1-2H,3H2,(H,14,16,17)
InChIKeyBKUCYGLEPQXVQR-UHFFFAOYSA-N
XLogP0.46
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Sulfanylidene-2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazin-3-one
CID 118190648

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione (CID 118190640) is 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione is O=c1cnn(Cc2cnc(C(F)(F)F)s2)c(=O)[nH]1.
What is the InChIKey of 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione?
The InChIKey is BKUCYGLEPQXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O2S/c9-8(10,11)6-12-1-4(18-6)3-15-7(17)14-5(16)2-13-15/h1-2H,3H2,(H,14,16,17).
What are the key properties of 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione?
2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione has a molecular weight of 278.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118190640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).