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

C8H5F3N4OS — CID 141374800

IUPAC1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
SMILESO=c1ncncn1Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-1-5(17-6)2-15-4-12-3-14-7(15)16/h1,3-4H,2H2
InChIKeyFJAMRCAHCWDTOE-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.16
Rot. Bonds2

About 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one

1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one (PubChem CID 141374800) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
PubChem CID141374800
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC Name1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
SMILESO=c1ncncn1Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-1-5(17-6)2-15-4-12-3-14-7(15)16/h1,3-4H,2H2
InChIKeyFJAMRCAHCWDTOE-UHFFFAOYSA-N
XLogP1.16
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
CID 15925069
6-Methyl-4-(methylthio)-1-{[2-(trifluoromethyl)thiazol-5-yl]methyl}-1,3,5-triazin-2 (1H)-one
CID 117839312
1-Carbamothioyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
CID 117839361
methyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylcarbamoyl]carbamimidothioate
CID 117839982
4,6-Dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 122503382
methyl N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylcarbamoyl]carbamimidothioate
CID 123377786
CID 140668408
CID 140668408
4-Methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 141374835
5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 141374842
1-(Aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
CID 174738730
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62729347
2,2-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 103515099

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
The IUPAC name of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one (CID 141374800) is 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one is O=c1ncncn1Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
The InChIKey is FJAMRCAHCWDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c9-8(10,11)6-13-1-5(17-6)2-15-4-12-3-14-7(15)16/h1,3-4H,2H2.
What are the key properties of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one has a molecular weight of 262.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 141374800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).