2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C11H14F3N3OS — CID 62797835

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNc1nc(CC(=O)N2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)7-2-1-3-17(5-7)9(18)4-8-6-19-10(15)16-8/h6-7H,1-5H2,(H2,15,16)
InChIKeyYLKYJKFOBJNGOZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.07
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 62797835) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID62797835
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNc1nc(CC(=O)N2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)7-2-1-3-17(5-7)9(18)4-8-6-19-10(15)16-8/h6-7H,1-5H2,(H2,15,16)
InChIKeyYLKYJKFOBJNGOZ-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 62797835) is 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is Nc1nc(CC(=O)N2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is YLKYJKFOBJNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)7-2-1-3-17(5-7)9(18)4-8-6-19-10(15)16-8/h6-7H,1-5H2,(H2,15,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 293.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62797835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).