N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H20F3N3OS — CID 71988838

IUPACN-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2cscn2)C1
InChIInChI=1S/C14H20F3N3OS/c1-2-20(9-14(15,16)17)13(21)11-4-3-5-19(6-11)7-12-8-22-10-18-12/h8,10-11H,2-7,9H2,1H3
InChIKeyOODVFFXHOXTJAC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.77
Rot. Bonds5

About N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988838) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988838
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC NameN-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2cscn2)C1
InChIInChI=1S/C14H20F3N3OS/c1-2-20(9-14(15,16)17)13(21)11-4-3-5-19(6-11)7-12-8-22-10-18-12/h8,10-11H,2-7,9H2,1H3
InChIKeyOODVFFXHOXTJAC-UHFFFAOYSA-N
XLogP2.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988838) is N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(Cc2cscn2)C1.
What is the InChIKey of N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is OODVFFXHOXTJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-2-20(9-14(15,16)17)13(21)11-4-3-5-19(6-11)7-12-8-22-10-18-12/h8,10-11H,2-7,9H2,1H3.
What are the key properties of N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).