2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C17H16F3N3O2S — CID 78866699

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C17H16F3N3O2S/c1-10(24)23-7-6-11-4-2-3-5-12(11)13(23)8-15(25)22-16-21-14(9-26-16)17(18,19)20/h2-5,9,13H,6-8H2,1H3,(H,21,22,25)
InChIKeyDGSRYBSKOLCBAJ-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.64
Rot. Bonds3

About 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78866699) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78866699
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C17H16F3N3O2S/c1-10(24)23-7-6-11-4-2-3-5-12(11)13(23)8-15(25)22-16-21-14(9-26-16)17(18,19)20/h2-5,9,13H,6-8H2,1H3,(H,21,22,25)
InChIKeyDGSRYBSKOLCBAJ-UHFFFAOYSA-N
XLogP3.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 78817959
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134044469
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 55415432
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 95230355
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 78818432
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 112806755
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97309302
2-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]benzamide
CID 134049123
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 55531968
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 55480646
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 55878621

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78866699) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)N1CCc2ccccc2C1CC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DGSRYBSKOLCBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-10(24)23-7-6-11-4-2-3-5-12(11)13(23)8-15(25)22-16-21-14(9-26-16)17(18,19)20/h2-5,9,13H,6-8H2,1H3,(H,21,22,25).
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 383.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78866699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).