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

C12H17F3N2S — CID 99834118

IUPAC5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC1(C)CN(Cc2cncs2)CC[C@H]1C(F)(F)F
InChIInChI=1S/C12H17F3N2S/c1-11(2)7-17(6-9-5-16-8-18-9)4-3-10(11)12(13,14)15/h5,8,10H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyIQXRAASISIBMCK-SNVBAGLBSA-N
MW278.34 g/mol
LogP3.55
Rot. Bonds2

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

5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 99834118) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID99834118
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC1(C)CN(Cc2cncs2)CC[C@H]1C(F)(F)F
InChIInChI=1S/C12H17F3N2S/c1-11(2)7-17(6-9-5-16-8-18-9)4-3-10(11)12(13,14)15/h5,8,10H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyIQXRAASISIBMCK-SNVBAGLBSA-N
XLogP3.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 99834118) is 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is CC1(C)CN(Cc2cncs2)CC[C@H]1C(F)(F)F.
What is the InChIKey of 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is IQXRAASISIBMCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-11(2)7-17(6-9-5-16-8-18-9)4-3-10(11)12(13,14)15/h5,8,10H,3-4,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 278.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 99834118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).