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

C12H15F3N2OS — CID 106782553

IUPAC2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C12H15F3N2OS/c1-11(2,17-5-3-4-6-17)9(18)8-7-16-10(19-8)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyQKLWYBSNAKVTLY-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.22
Rot. Bonds3

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

2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782553) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782553
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C12H15F3N2OS/c1-11(2,17-5-3-4-6-17)9(18)8-7-16-10(19-8)12(13,14)15/h7H,3-6H2,1-2H3
InChIKeyQKLWYBSNAKVTLY-UHFFFAOYSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.22
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
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
Cyclopropyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782439
2,2-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782441
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106782453
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782491
3,3-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782553) is 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is QKLWYBSNAKVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-11(2,17-5-3-4-6-17)9(18)8-7-16-10(19-8)12(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 292.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).