2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one

C14H19F3N2OS — CID 126750503

IUPAC2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H19F3N2OS/c1-13(2,3)12(20)19-6-4-9(5-7-19)11-18-10(8-21-11)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyYKNHICQRCIVQSD-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.91
Rot. Bonds1

About 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 126750503) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID126750503
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H19F3N2OS/c1-13(2,3)12(20)19-6-4-9(5-7-19)11-18-10(8-21-11)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyYKNHICQRCIVQSD-UHFFFAOYSA-N
XLogP3.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53521435
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53525495
N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
CID 71983776
2-[2-(4-Methyl-1,3-thiazol-2-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114791
1-[3-(4-Ethyl-1,3-thiazol-2-yl)piperidino]-1-ethanone
CID 53016829
1-[3-(4-Ethyl-1,3-thiazol-2-yl)piperidino]-1-propanone
CID 53016834
Cyclopropyl[4-(4-ethyl-1,3-thiazol-2-yl)piperidino]methanone
CID 53016841
1-Cyclopropanecarbonyl-3-(4-ethyl-1,3-thiazol-2-YL)piperidine
CID 53016842
1-[3-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 53016855
1-[3-(4-Isopropyl-1,3-thiazol-2-yl)piperidino]-2,2-dimethyl-1-propanone
CID 53016869
1-[3-(4-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethan-1-one
CID 71687227
1-[4-(4-Isopropyl-1,3-thiazol-2-yl)piperidino]-1-ethanone
CID 53016833

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one (CID 126750503) is 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is YKNHICQRCIVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-13(2,3)12(20)19-6-4-9(5-7-19)11-18-10(8-21-11)14(15,16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 320.38 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).