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

C12H15F3N2O2S — CID 80576499

IUPACmethyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15F3N2O2S/c1-19-10(18)6-9-7-20-11(16-9)17-4-2-8(3-5-17)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyUOOSWWIEQOWBOA-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.64
Rot. Bonds3

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

methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate (PubChem CID 80576499) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate
PubChem CID80576499
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15F3N2O2S/c1-19-10(18)6-9-7-20-11(16-9)17-4-2-8(3-5-17)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyUOOSWWIEQOWBOA-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate (CID 80576499) is methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate?
The InChIKey is UOOSWWIEQOWBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-19-10(18)6-9-7-20-11(16-9)17-4-2-8(3-5-17)12(13,14)15/h7-8H,2-6H2,1H3.
What are the key properties of methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).