2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C13H15F3N4OS — CID 90542147

IUPAC2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1nc(CN2CCC(c3nnc(C(F)(F)F)o3)CC2)cs1
InChIInChI=1S/C13H15F3N4OS/c1-8-17-10(7-22-8)6-20-4-2-9(3-5-20)11-18-19-12(21-11)13(14,15)16/h7,9H,2-6H2,1H3
InChIKeyFHNHHBIJVOWRHX-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 90542147) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID90542147
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1nc(CN2CCC(c3nnc(C(F)(F)F)o3)CC2)cs1
InChIInChI=1S/C13H15F3N4OS/c1-8-17-10(7-22-8)6-20-4-2-9(3-5-20)11-18-19-12(21-11)13(14,15)16/h7,9H,2-6H2,1H3
InChIKeyFHNHHBIJVOWRHX-UHFFFAOYSA-N
XLogP3.23
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542207
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890847
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111117688
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462080
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 90542147) is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1nc(CN2CCC(c3nnc(C(F)(F)F)o3)CC2)cs1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is FHNHHBIJVOWRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-8-17-10(7-22-8)6-20-4-2-9(3-5-20)11-18-19-12(21-11)13(14,15)16/h7,9H,2-6H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 332.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90542147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).