2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one

C12H15F3N2OS — CID 126750224

IUPAC2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCc2nc(C(F)(F)F)sc2C1
InChIInChI=1S/C12H15F3N2OS/c1-11(2,3)10(18)17-5-4-7-8(6-17)19-9(16-7)12(13,14)15/h4-6H2,1-3H3
InChIKeyJCFWHVZEUGOQJS-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.09
Rot. Bonds

About 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one

2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (PubChem CID 126750224) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
PubChem CID126750224
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCc2nc(C(F)(F)F)sc2C1
InChIInChI=1S/C12H15F3N2OS/c1-11(2,3)10(18)17-5-4-7-8(6-17)19-9(16-7)12(13,14)15/h4-6H2,1-3H3
InChIKeyJCFWHVZEUGOQJS-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (CID 126750224) is 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is CC(C)(C)C(=O)N1CCc2nc(C(F)(F)F)sc2C1.
What is the InChIKey of 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The InChIKey is JCFWHVZEUGOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-11(2,3)10(18)17-5-4-7-8(6-17)19-9(16-7)12(13,14)15/h4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one has a molecular weight of 292.33 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 126750224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).