N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H20F3N3OS — CID 75388046

IUPACN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(CCc1nccs1)C(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H20F3N3OS/c1-19(7-4-12-18-5-8-22-12)13(21)11-3-2-6-20(9-11)10-14(15,16)17/h5,8,11H,2-4,6-7,9-10H2,1H3
InChIKeyZGDJSANGZMDXPJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.42
Rot. Bonds5

About N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75388046) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75388046
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(CCc1nccs1)C(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H20F3N3OS/c1-19(7-4-12-18-5-8-22-12)13(21)11-3-2-6-20(9-11)10-14(15,16)17/h5,8,11H,2-4,6-7,9-10H2,1H3
InChIKeyZGDJSANGZMDXPJ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75388046) is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CN(CCc1nccs1)C(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZGDJSANGZMDXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-19(7-4-12-18-5-8-22-12)13(21)11-3-2-6-20(9-11)10-14(15,16)17/h5,8,11H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75388046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).