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

C12H17F3N2OS — CID 68896058

IUPAC2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(N2CCC(C(F)(F)F)CC2)nc1CCO
InChIInChI=1S/C12H17F3N2OS/c1-8-10(4-7-18)16-11(19-8)17-5-2-9(3-6-17)12(13,14)15/h9,18H,2-7H2,1H3
InChIKeyZHIFXCZXGXWIQA-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.77
Rot. Bonds3

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

2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol (PubChem CID 68896058) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol
PubChem CID68896058
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(N2CCC(C(F)(F)F)CC2)nc1CCO
InChIInChI=1S/C12H17F3N2OS/c1-8-10(4-7-18)16-11(19-8)17-5-2-9(3-6-17)12(13,14)15/h9,18H,2-7H2,1H3
InChIKeyZHIFXCZXGXWIQA-UHFFFAOYSA-N
XLogP2.77
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol (CID 68896058) is 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol is Cc1sc(N2CCC(C(F)(F)F)CC2)nc1CCO.
What is the InChIKey of 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is ZHIFXCZXGXWIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-8-10(4-7-18)16-11(19-8)17-5-2-9(3-6-17)12(13,14)15/h9,18H,2-7H2,1H3.
What are the key properties of 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol?
2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 294.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 68896058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).