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

C10H13F3N2OS — CID 106782552

IUPAC2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCN(C)C(C)(C)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2OS/c1-9(2,15(3)4)7(16)6-5-14-8(17-6)10(11,12)13/h5H,1-4H3
InChIKeyRWFZQXXSFNTJFA-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.68
Rot. Bonds3

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

2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782552) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782552
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCN(C)C(C)(C)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2OS/c1-9(2,15(3)4)7(16)6-5-14-8(17-6)10(11,12)13/h5H,1-4H3
InChIKeyRWFZQXXSFNTJFA-UHFFFAOYSA-N
XLogP2.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.68
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
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
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanone
CID 79964750
1-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 84770360
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 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782552) is 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CN(C)C(C)(C)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is RWFZQXXSFNTJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-9(2,15(3)4)7(16)6-5-14-8(17-6)10(11,12)13/h5H,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
2-(dimethylamino)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 266.29 g/mol, XLogP of 2.68, 3 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]propan-1-one is sourced from PubChem (CID 106782552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).