oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C12H13F3N2O2S — CID 154880206

IUPACoxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CO1)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)9-6-20-10(16-9)7-1-3-17(4-2-7)11(18)8-5-19-8/h6-8H,1-5H2
InChIKeyNWCDZUFAFOMISF-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.27
Rot. Bonds2

About oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 154880206) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID154880206
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC Nameoxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CO1)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)9-6-20-10(16-9)7-1-3-17(4-2-7)11(18)8-5-19-8/h6-8H,1-5H2
InChIKeyNWCDZUFAFOMISF-UHFFFAOYSA-N
XLogP2.27
TPSA45.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129488366
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
CID 122151843
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
5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119947546
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 124595799
2-pyrazolo[1,5-a]pyridin-3-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 146092918
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3839677
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 154880254
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 154880206) is oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is O=C(C1CO1)N1CCC(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is NWCDZUFAFOMISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)9-6-20-10(16-9)7-1-3-17(4-2-7)11(18)8-5-19-8/h6-8H,1-5H2.
What are the key properties of oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 306.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 154880206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).