N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C20H19F3N4OS — CID 55692927

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C)c1ncccc1CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H19F3N4OS/c1-27(2)18-14(4-3-9-24-18)11-25-17(28)10-16-12-29-19(26-16)13-5-7-15(8-6-13)20(21,22)23/h3-9,12H,10-11H2,1-2H3,(H,25,28)
InChIKeyIUAUMYSXTVQLKO-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.15
Rot. Bonds6

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55692927) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55692927
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C)c1ncccc1CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H19F3N4OS/c1-27(2)18-14(4-3-9-24-18)11-25-17(28)10-16-12-29-19(26-16)13-5-7-15(8-6-13)20(21,22)23/h3-9,12H,10-11H2,1-2H3,(H,25,28)
InChIKeyIUAUMYSXTVQLKO-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
CID 46415356
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-(3-hydroxy-2-pyridinyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 30345603
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515765
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
CID 55794716
(2R)-3-methyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 142371255

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 55692927) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CN(C)c1ncccc1CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is IUAUMYSXTVQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c1-27(2)18-14(4-3-9-24-18)11-25-17(28)10-16-12-29-19(26-16)13-5-7-15(8-6-13)20(21,22)23/h3-9,12H,10-11H2,1-2H3,(H,25,28).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 420.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55692927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).