2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one

C11H15F3N2OS — CID 106782557

IUPAC2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N(C)C
InChIInChI=1S/C11H15F3N2OS/c1-5-10(2,16(3)4)8(17)7-6-15-9(18-7)11(12,13)14/h6H,5H2,1-4H3
InChIKeyYHBJWWCSQTUDTD-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.07
Rot. Bonds4

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

2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (PubChem CID 106782557) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
PubChem CID106782557
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
SMILESCCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N(C)C
InChIInChI=1S/C11H15F3N2OS/c1-5-10(2,16(3)4)8(17)7-6-15-9(18-7)11(12,13)14/h6H,5H2,1-4H3
InChIKeyYHBJWWCSQTUDTD-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.07
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
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819
2,3,3-Trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-one
CID 80477340
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
Cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782437
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782438
Cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782439

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one (CID 106782557) is 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is CCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
The InChIKey is YHBJWWCSQTUDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-5-10(2,16(3)4)8(17)7-6-15-9(18-7)11(12,13)14/h6H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one?
2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 280.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 106782557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).