1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one

C14H17F3N2OS — CID 122151843

IUPAC1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H17F3N2OS/c1-2-3-4-12(20)19-7-5-10(6-8-19)13-18-11(9-21-13)14(15,16)17/h2,9-10H,1,3-8H2
InChIKeyWFHONHHODSVNIB-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.83
Rot. Bonds4

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

1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one (PubChem CID 122151843) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
PubChem CID122151843
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H17F3N2OS/c1-2-3-4-12(20)19-7-5-10(6-8-19)13-18-11(9-21-13)14(15,16)17/h2,9-10H,1,3-8H2
InChIKeyWFHONHHODSVNIB-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 154880206
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209028
N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129488366
[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 118250031
1-[4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 86631243
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pent-4-en-1-one
CID 91631591
1-[4-[4-[hydroxy-[[(E)-2-(methylamino)prop-1-enyl]amino]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]hex-5-en-1-one
CID 142982879
N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129347190
methyl 4-[4-(4-formyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 142983150
1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pent-4-en-1-one
CID 99833920
2-pyrazolo[1,5-a]pyridin-3-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 146092918

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one (CID 122151843) is 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one?
The InChIKey is WFHONHHODSVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-2-3-4-12(20)19-7-5-10(6-8-19)13-18-11(9-21-13)14(15,16)17/h2,9-10H,1,3-8H2.
What are the key properties of 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one?
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one has a molecular weight of 318.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 122151843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).