1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

C11H11F3N2O2S — CID 126498075

IUPAC1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)sc1N1CCO[C@H]2C[C@H]21
InChIInChI=1S/C11H11F3N2O2S/c1-5(17)8-9(19-10(15-8)11(12,13)14)16-2-3-18-7-4-6(7)16/h6-7H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyWPLMPFDHTOBZSQ-RQJHMYQMSA-N
MW292.28 g/mol
LogP2.34
Rot. Bonds2

About 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 126498075) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID126498075
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)sc1N1CCO[C@H]2C[C@H]21
InChIInChI=1S/C11H11F3N2O2S/c1-5(17)8-9(19-10(15-8)11(12,13)14)16-2-3-18-7-4-6(7)16/h6-7H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyWPLMPFDHTOBZSQ-RQJHMYQMSA-N
XLogP2.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
1-[5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498077
4-[4-Acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 126498080
ethyl 5-[(1S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 138737011
ethyl 5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 154992044
1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone;1-[5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 160375386
ethyl 5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 162598285
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(5-Morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497996
1-(2-Bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497997
1-(2-Cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497999
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 126498075) is 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C(F)(F)F)sc1N1CCO[C@H]2C[C@H]21.
What is the InChIKey of 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is WPLMPFDHTOBZSQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-5(17)8-9(19-10(15-8)11(12,13)14)16-2-3-18-7-4-6(7)16/h6-7H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 292.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).