2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole

C9H14N2S — CID 170533293

IUPAC2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
SMILES[2H]C([2H])([2H])N1CCC(c2nccs2)CC1
InChIInChI=1S/C9H14N2S/c1-11-5-2-8(3-6-11)9-10-4-7-12-9/h4,7-8H,2-3,5-6H2,1H3/i1D3
InChIKeyCEDUEHPQIBFNRR-FIBGUPNXSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds2

About 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole

2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 170533293) has the molecular formula C9H14N2S and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID170533293
Molecular FormulaC9H14N2S
Molecular Weight185.31 g/mol
Exact Mass185.11
IUPAC Name2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
SMILES[2H]C([2H])([2H])N1CCC(c2nccs2)CC1
InChIInChI=1S/C9H14N2S/c1-11-5-2-8(3-6-11)9-10-4-7-12-9/h4,7-8H,2-3,5-6H2,1H3/i1D3
InChIKeyCEDUEHPQIBFNRR-FIBGUPNXSA-N
XLogP1.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
CID 141162301
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline
CID 170777895
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole (CID 170533293) is 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole is [2H]C([2H])([2H])N1CCC(c2nccs2)CC1.
What is the InChIKey of 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is CEDUEHPQIBFNRR-FIBGUPNXSA-N. The full InChI is InChI=1S/C9H14N2S/c1-11-5-2-8(3-6-11)9-10-4-7-12-9/h4,7-8H,2-3,5-6H2,1H3/i1D3.
What are the key properties of 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole?
2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 185.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 170533293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).