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

C14H20F3N3OS — CID 86791160

IUPACN-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2sc(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3OS/c1-3-18-13(21)10-4-6-20(7-5-10)8-11-12(14(15,16)17)19-9(2)22-11/h10H,3-8H2,1-2H3,(H,18,21)
InChIKeyMLNJTFRATGMZNC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.82
Rot. Bonds4

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

N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 86791160) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID86791160
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC NameN-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2sc(C)nc2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3OS/c1-3-18-13(21)10-4-6-20(7-5-10)8-11-12(14(15,16)17)19-9(2)22-11/h10H,3-8H2,1-2H3,(H,18,21)
InChIKeyMLNJTFRATGMZNC-UHFFFAOYSA-N
XLogP2.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 120966684
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 154582450
2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60706892
1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide
CID 175401894
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121122676

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide (CID 86791160) is N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(Cc2sc(C)nc2C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is MLNJTFRATGMZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-3-18-13(21)10-4-6-20(7-5-10)8-11-12(14(15,16)17)19-9(2)22-11/h10H,3-8H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86791160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).