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

C13H17F3N2OS — CID 106782554

IUPAC2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCCCC1
InChIInChI=1S/C13H17F3N2OS/c1-12(2,18-6-4-3-5-7-18)10(19)9-8-17-11(20-9)13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyXAFKWZFGUBJQDO-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.61
Rot. Bonds3

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

2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782554) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782554
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCCCC1
InChIInChI=1S/C13H17F3N2OS/c1-12(2,18-6-4-3-5-7-18)10(19)9-8-17-11(20-9)13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyXAFKWZFGUBJQDO-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782652
2-(azepan-1-yl)-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783418
2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782562
azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784725
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783411
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784658
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784865
3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782554) is 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CC(C)(C(=O)c1cnc(C(F)(F)F)s1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is XAFKWZFGUBJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-12(2,18-6-4-3-5-7-18)10(19)9-8-17-11(20-9)13(14,15)16/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 306.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).