(2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

C12H8F3N3OS — CID 6544231

IUPAC(2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
SMILESO=C1N[C@](c2ccccc2)(C(F)(F)F)N=C2SC=CN12
InChIInChI=1S/C12H8F3N3OS/c13-12(14,15)11(8-4-2-1-3-5-8)16-9(19)18-6-7-20-10(18)17-11/h1-7H,(H,16,19)/t11-/m0/s1
InChIKeySZJRPQMXHXNQBJ-NSHDSACASA-N
MW299.28 g/mol
LogP3.00
Rot. Bonds1

About (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

(2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one (PubChem CID 6544231) has the molecular formula C12H8F3N3OS and a molecular weight of 299.28 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
PubChem CID6544231
Molecular FormulaC12H8F3N3OS
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name(2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
SMILESO=C1N[C@](c2ccccc2)(C(F)(F)F)N=C2SC=CN12
InChIInChI=1S/C12H8F3N3OS/c13-12(14,15)11(8-4-2-1-3-5-8)16-9(19)18-6-7-20-10(18)17-11/h1-7H,(H,16,19)/t11-/m0/s1
InChIKeySZJRPQMXHXNQBJ-NSHDSACASA-N
XLogP3.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-7,7-dimethyl-2-phenyl-2-(trifluoromethyl)-6,8-dihydro-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-4,9-dione
CID 2337322
8-methylsulfonyl-2-phenyl-2-(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 3358747
2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazine-4-thione
CID 3404374
(4S)-4-phenyl-4-(trichloromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-2-one
CID 825486
1-oxo-3-phenyl-3-(trifluoromethyl)-2H-pyrido[1,2-c]pyrimidine-4-carbonitrile
CID 3581005
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
3-tert-butyl-5,5-diphenylimidazolidine-2,4-dione
CID 13403875
3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-5,5-diphenylimidazolidine-2,4-dione
CID 91727424
(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
CID 2372957
2-phenyl-2-(trifluoromethyl)-1,3-dihydrobenzimidazole
CID 86257544
3-[(3,4-difluorophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 78797815
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
The IUPAC name of (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one (CID 6544231) is (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
The canonical SMILES for (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one is O=C1N[C@](c2ccccc2)(C(F)(F)F)N=C2SC=CN12.
What is the InChIKey of (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
The InChIKey is SZJRPQMXHXNQBJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H8F3N3OS/c13-12(14,15)11(8-4-2-1-3-5-8)16-9(19)18-6-7-20-10(18)17-11/h1-7H,(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
(2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one has a molecular weight of 299.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 6544231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).