2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone

C12H15F3N2O2S — CID 162629373

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC(OC(F)(F)F)CC2)cs1
InChIInChI=1S/C12H15F3N2O2S/c1-8-16-9(7-20-8)6-11(18)17-4-2-10(3-5-17)19-12(13,14)15/h7,10H,2-6H2,1H3
InChIKeyHLFFNNMWQHJRQM-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone (PubChem CID 162629373) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone
PubChem CID162629373
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC(OC(F)(F)F)CC2)cs1
InChIInChI=1S/C12H15F3N2O2S/c1-8-16-9(7-20-8)6-11(18)17-4-2-10(3-5-17)19-12(13,14)15/h7,10H,2-6H2,1H3
InChIKeyHLFFNNMWQHJRQM-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone (CID 162629373) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC(OC(F)(F)F)CC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone?
The InChIKey is HLFFNNMWQHJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-8-16-9(7-20-8)6-11(18)17-4-2-10(3-5-17)19-12(13,14)15/h7,10H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone has a molecular weight of 308.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 162629373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).