[3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

C12H15F3N2O2S — CID 136535239

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESCOCC1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O2S/c1-19-6-8-3-2-4-17(5-8)10(18)9-7-20-11(16-9)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyKLAFNNZIEFZGCD-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.66
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

[3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 136535239) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID136535239
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESCOCC1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O2S/c1-19-6-8-3-2-4-17(5-8)10(18)9-7-20-11(16-9)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyKLAFNNZIEFZGCD-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 136535239) is [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is COCC1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is KLAFNNZIEFZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-19-6-8-3-2-4-17(5-8)10(18)9-7-20-11(16-9)12(13,14)15/h7-8H,2-6H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 308.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136535239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).