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

C10H12F3NOS — CID 106782453

IUPAC4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCC(C)CCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NOS/c1-6(2)3-4-7(15)8-5-14-9(16-8)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyAZEIGVYLVKLQIL-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.78
Rot. Bonds4

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

4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (PubChem CID 106782453) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
PubChem CID106782453
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
SMILESCC(C)CCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NOS/c1-6(2)3-4-7(15)8-5-14-9(16-8)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyAZEIGVYLVKLQIL-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
2,2,2-Trifluoro-1-[2-[4-(2-methylbut-3-enyl)cyclooctyl]-1,3-thiazol-5-yl]ethanone
CID 163453156
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000
2-Cyclobutyl-3-oxo-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanenitrile
CID 169169382
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 170758118
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819
4,4-Dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pentan-1-one
CID 135058218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one (CID 106782453) is 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is CC(C)CCC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
The InChIKey is AZEIGVYLVKLQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-6(2)3-4-7(15)8-5-14-9(16-8)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one?
4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one has a molecular weight of 251.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one is sourced from PubChem (CID 106782453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).