ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

C11H15F3N2OS — CID 144565851

IUPACethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCC.Cc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2OS.C2H6/c1-5-13-6-2-3-14(4-7(6)16-5)8(15)9(10,11)12;1-2/h2-4H2,1H3;1-2H3
InChIKeyMBHSFPLACIPITL-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.92
Rot. Bonds

About ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone

ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (PubChem CID 144565851) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
PubChem CID144565851
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Nameethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
SMILESCC.Cc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2OS.C2H6/c1-5-13-6-2-3-14(4-7(6)16-5)8(15)9(10,11)12;1-2/h2-4H2,1H3;1-2H3
InChIKeyMBHSFPLACIPITL-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The IUPAC name of ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone (CID 144565851) is ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is CC.Cc1nc2c(s1)CN(C(=O)C(F)(F)F)CC2.
What is the InChIKey of ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
The InChIKey is MBHSFPLACIPITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS.C2H6/c1-5-13-6-2-3-14(4-7(6)16-5)8(15)9(10,11)12;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone?
ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone has a molecular weight of 280.31 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 144565851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).