7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C20H13F3N4O2S — CID 3693161

IUPAC7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=C1Nc2ccccc2C1=c1sc2n(c1=O)CN(c1cccc(C(F)(F)F)c1)CN=2
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)11-4-3-5-12(8-11)26-9-24-19-27(10-26)18(29)16(30-19)15-13-6-1-2-7-14(13)25-17(15)28/h1-8H,9-10H2,(H,25,28)
InChIKeyDALGETLMOCHHPD-UHFFFAOYSA-N
MW430.41 g/mol
LogP2.13
Rot. Bonds1

About 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 3693161) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID3693161
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC Name7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESO=C1Nc2ccccc2C1=c1sc2n(c1=O)CN(c1cccc(C(F)(F)F)c1)CN=2
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)11-4-3-5-12(8-11)26-9-24-19-27(10-26)18(29)16(30-19)15-13-6-1-2-7-14(13)25-17(15)28/h1-8H,9-10H2,(H,25,28)
InChIKeyDALGETLMOCHHPD-UHFFFAOYSA-N
XLogP2.13
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-bromophenyl)-7-(2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 5168621
(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-3-(3-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1422544
2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 600448
(7E)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 2037758
7-[(4-methoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3541314
3-(3,4-dimethylphenyl)-7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3803278
7-[(4-nitrophenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 4678397
8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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(7Z)-3-(3-fluorophenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
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2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
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3-(3-fluorophenyl)-7-[(5-iodofuran-2-yl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 3693161) is 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is O=C1Nc2ccccc2C1=c1sc2n(c1=O)CN(c1cccc(C(F)(F)F)c1)CN=2.
What is the InChIKey of 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is DALGETLMOCHHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c21-20(22,23)11-4-3-5-12(8-11)26-9-24-19-27(10-26)18(29)16(30-19)15-13-6-1-2-7-14(13)25-17(15)28/h1-8H,9-10H2,(H,25,28).
What are the key properties of 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 430.41 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 3693161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).