4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

C10H12F3NO2S — CID 106785031

IUPAC4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCOC(C)CCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-6(16-2)3-4-7(15)8-5-14-9(17-8)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyXYYOTBJRYIQECE-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.16
Rot. Bonds5

About 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one

4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (PubChem CID 106785031) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
PubChem CID106785031
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCOC(C)CCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-6(16-2)3-4-7(15)8-5-14-9(17-8)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyXYYOTBJRYIQECE-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
Methyl 2,4-dioxo-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoate
CID 135316811
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-one
CID 80477340
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150093
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150094
(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 105743920
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782429
3-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782436
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782438

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The IUPAC name of 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (CID 106785031) is 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.
What is the SMILES notation for 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The canonical SMILES for 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is COC(C)CCC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The InChIKey is XYYOTBJRYIQECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-6(16-2)3-4-7(15)8-5-14-9(17-8)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one has a molecular weight of 267.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is sourced from PubChem (CID 106785031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).