5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

C10H13F3N2S — CID 163343642

IUPAC5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)8-1-3-15(4-2-8)6-9-5-14-7-16-9/h5,7-8H,1-4,6H2
InChIKeyGQZOVJWYTIZVEG-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.92
Rot. Bonds2

About 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 163343642) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID163343642
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)8-1-3-15(4-2-8)6-9-5-14-7-16-9/h5,7-8H,1-4,6H2
InChIKeyGQZOVJWYTIZVEG-UHFFFAOYSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
CID 131703561
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
(7S)-7-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-thiazepane 1,1-dioxide
CID 129401951
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 163343642) is 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is FC(F)(F)C1CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GQZOVJWYTIZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)8-1-3-15(4-2-8)6-9-5-14-7-16-9/h5,7-8H,1-4,6H2.
What are the key properties of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 250.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 163343642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).