N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide

C15H15F3N2O2S — CID 166314686

IUPACN-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide
SMILESCCN(C)C(=O)c1cccc(OCc2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C15H15F3N2O2S/c1-3-20(2)13(21)10-5-4-6-11(7-10)22-9-12-8-19-14(23-12)15(16,17)18/h4-8H,3,9H2,1-2H3
InChIKeyKKJNENAFESZLRU-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.83
Rot. Bonds5

About N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide

N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide (PubChem CID 166314686) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide
PubChem CID166314686
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide
SMILESCCN(C)C(=O)c1cccc(OCc2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C15H15F3N2O2S/c1-3-20(2)13(21)10-5-4-6-11(7-10)22-9-12-8-19-14(23-12)15(16,17)18/h4-8H,3,9H2,1-2H3
InChIKeyKKJNENAFESZLRU-UHFFFAOYSA-N
XLogP3.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 19454355
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55775742
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-ethoxy-N-methyl-N-prop-2-enylbenzamide
CID 123374812
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
CID 119179589
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide?
The IUPAC name of N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide (CID 166314686) is N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide?
The canonical SMILES for N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide is CCN(C)C(=O)c1cccc(OCc2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide?
The InChIKey is KKJNENAFESZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-3-20(2)13(21)10-5-4-6-11(7-10)22-9-12-8-19-14(23-12)15(16,17)18/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide?
N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide has a molecular weight of 344.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 166314686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).