1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C12H16F3NO2S — CID 103214275

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCC(C)(C)c1csc(CC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C12H16F3NO2S/c1-11(2,3)9-6-19-10(16-9)4-8(17)5-18-7-12(13,14)15/h6H,4-5,7H2,1-3H3
InChIKeyUMYJSLZLZGCJTE-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214275) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214275
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCC(C)(C)c1csc(CC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C12H16F3NO2S/c1-11(2,3)9-6-19-10(16-9)4-8(17)5-18-7-12(13,14)15/h6H,4-5,7H2,1-3H3
InChIKeyUMYJSLZLZGCJTE-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propoxypropan-2-one
CID 79819641
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216992
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxypentan-2-one
CID 79820419
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)propan-2-one
CID 79827680
1-(4-tert-butyl-1,3-thiazol-2-yl)decan-2-one
CID 115786938
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-one
CID 105118447

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214275) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is CC(C)(C)c1csc(CC(=O)COCC(F)(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is UMYJSLZLZGCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-11(2,3)9-6-19-10(16-9)4-8(17)5-18-7-12(13,14)15/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 295.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).