N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H16F3N3O2S — CID 110717539

IUPACN-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cncs1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N3O2S/c14-13(15,16)12(21)19-5-2-9(3-6-19)11(20)18-4-1-10-7-17-8-22-10/h7-9H,1-6H2,(H,18,20)
InChIKeyUWJRJSHNDVOOOW-UHFFFAOYSA-N
MW335.35 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110717539) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110717539
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC NameN-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cncs1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N3O2S/c14-13(15,16)12(21)19-5-2-9(3-6-19)11(20)18-4-1-10-7-17-8-22-10/h7-9H,1-6H2,(H,18,20)
InChIKeyUWJRJSHNDVOOOW-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110717539) is N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCCc1cncs1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is UWJRJSHNDVOOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c14-13(15,16)12(21)19-5-2-9(3-6-19)11(20)18-4-1-10-7-17-8-22-10/h7-9H,1-6H2,(H,18,20).
What are the key properties of N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110717539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).