1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

C14H9F3N2O2S — CID 44589774

IUPAC1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ncc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)11(20)10-7-18-12(22-10)13(21)19-6-5-8-3-1-2-4-9(8)19/h1-4,7H,5-6H2
InChIKeyCXLHFLUJPHMEHO-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.09
Rot. Bonds2

About 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (PubChem CID 44589774) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
PubChem CID44589774
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ncc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)11(20)10-7-18-12(22-10)13(21)19-6-5-8-3-1-2-4-9(8)19/h1-4,7H,5-6H2
InChIKeyCXLHFLUJPHMEHO-UHFFFAOYSA-N
XLogP3.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (CID 44589774) is 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is O=C(c1ncc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is CXLHFLUJPHMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)11(20)10-7-18-12(22-10)13(21)19-6-5-8-3-1-2-4-9(8)19/h1-4,7H,5-6H2.
What are the key properties of 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 326.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 44589774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).