(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

C18H16F3N3O2S — CID 2337322

IUPAC(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
SMILESCC1(C)CC(=O)C2=C(C1)N1C(=O)N[C@](c3ccccc3)(C(F)(F)F)N=C1S2
InChIInChI=1S/C18H16F3N3O2S/c1-16(2)8-11-13(12(25)9-16)27-15-23-17(18(19,20)21,22-14(26)24(11)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeyVXWLOPDFLUHFRU-KRWDZBQOSA-N
MW395.41 g/mol
LogP4.13
Rot. Bonds1

About (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

(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 (PubChem CID 2337322) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID2337322
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name(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
SMILESCC1(C)CC(=O)C2=C(C1)N1C(=O)N[C@](c3ccccc3)(C(F)(F)F)N=C1S2
InChIInChI=1S/C18H16F3N3O2S/c1-16(2)8-11-13(12(25)9-16)27-15-23-17(18(19,20)21,22-14(26)24(11)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeyVXWLOPDFLUHFRU-KRWDZBQOSA-N
XLogP4.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

8-methylsulfonyl-2-phenyl-2-(trifluoromethyl)-3H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 3358747
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
6,6-dimethyl-3-(5-methyl-3-oxo-1H-pyrazol-2-id-4-yl)-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione;rhenium
CID 163614964
2-phenyl-2-(trifluoromethyl)-3H-pyrido[1,2-a][1,3,5]triazine-4-thione
CID 3404374
5,5-dimethyl-2-(thiophen-2-ylmethylidene)cyclohexane-1,3-dione
CID 4090766
1-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-3-yl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
CID 16764179
N-[6,6-dimethyl-2,4-dioxo-1-(1-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide
CID 3272196
(6R)-2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
CID 743265
(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 91421764
8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
CID 137234334
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)CC(=O)C2=C(C1)N1C(=O)N[C@](c3ccccc3)(C(F)(F)F)N=C1S2.
What is the InChIKey of (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?
The InChIKey is VXWLOPDFLUHFRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-16(2)8-11-13(12(25)9-16)27-15-23-17(18(19,20)21,22-14(26)24(11)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 395.41 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 2337322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).