1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

C11H10F3NO2S — CID 126498060

IUPAC1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)sc1C1=CCOCC1
InChIInChI=1S/C11H10F3NO2S/c1-6(16)8-9(7-2-4-17-5-3-7)18-10(15-8)11(12,13)14/h2H,3-5H2,1H3
InChIKeyRESUGCBTKBJCOU-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.17
Rot. Bonds2

About 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 126498060) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID126498060
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)sc1C1=CCOCC1
InChIInChI=1S/C11H10F3NO2S/c1-6(16)8-9(7-2-4-17-5-3-7)18-10(15-8)11(12,13)14/h2H,3-5H2,1H3
InChIKeyRESUGCBTKBJCOU-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11390631, Example 453
CID 126482693
1-[5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-one
CID 145236692
methyl 5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482724
1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-1,3-thiazol-4-yl]ethanone
CID 126498002

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 126498060) is 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C(F)(F)F)sc1C1=CCOCC1.
What is the InChIKey of 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is RESUGCBTKBJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c1-6(16)8-9(7-2-4-17-5-3-7)18-10(15-8)11(12,13)14/h2H,3-5H2,1H3.
What are the key properties of 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 277.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).