2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C15H18F3N3O2S — CID 110289815

IUPAC2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(c2nccs2)CC1
InChIInChI=1S/C15H18F3N3O2S/c16-15(17,18)14(23)21-6-1-2-11(21)13(22)20-7-3-10(4-8-20)12-19-5-9-24-12/h5,9-11H,1-4,6-8H2
InChIKeyWMIMYHGPFSUDHW-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.40
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 110289815) has the molecular formula C15H18F3N3O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID110289815
Molecular FormulaC15H18F3N3O2S
Molecular Weight361.39 g/mol
Exact Mass361.11
IUPAC Name2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(c2nccs2)CC1
InChIInChI=1S/C15H18F3N3O2S/c16-15(17,18)14(23)21-6-1-2-11(21)13(22)20-7-3-10(4-8-20)12-19-5-9-24-12/h5,9-11H,1-4,6-8H2
InChIKeyWMIMYHGPFSUDHW-UHFFFAOYSA-N
XLogP2.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[1-oxo-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370241
N-ethyl-2-(2-oxopiperidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 84589758
2-Methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118743530
2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118743531
3-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 121528137
(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
2-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71986834
[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 72134084
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75388046
2-[1-(4,4,4-Trifluorobutanoyl)pyrrolidin-2-yl]-1,3-thiazole
CID 90653836
[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95770071
[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95770072

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 110289815) is 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is O=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(c2nccs2)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is WMIMYHGPFSUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S/c16-15(17,18)14(23)21-6-1-2-11(21)13(22)20-7-3-10(4-8-20)12-19-5-9-24-12/h5,9-11H,1-4,6-8H2.
What are the key properties of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 361.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110289815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).