4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide

C15H13F3N2O2S — CID 71993341

IUPAC4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-9(21)10-2-4-11(5-3-10)14(22)19-7-6-13-20-12(8-23-13)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,19,22)
InChIKeyJPPANZPUXDXYAT-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.34
Rot. Bonds5

About 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide

4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 71993341) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID71993341
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-9(21)10-2-4-11(5-3-10)14(22)19-7-6-13-20-12(8-23-13)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,19,22)
InChIKeyJPPANZPUXDXYAT-UHFFFAOYSA-N
XLogP3.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
CID 71993376
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977755
2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide
CID 71993367
N,N-diethyl-4-[[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]methyl]benzamide
CID 111689362
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 100651064
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
2-methyl-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111688602
N,N-diethyl-4-[[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111689361
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 71993341) is 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide is CC(=O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is JPPANZPUXDXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-9(21)10-2-4-11(5-3-10)14(22)19-7-6-13-20-12(8-23-13)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,19,22).
What are the key properties of 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide?
4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 342.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 71993341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).