N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide

C22H20F3N3O2S — CID 46415356

IUPACN,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C22H20F3N3O2S/c1-28(2)21(30)16-5-3-4-14(10-16)12-26-19(29)11-18-13-31-20(27-18)15-6-8-17(9-7-15)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,29)
InChIKeyAGOPLZMPDGDSKO-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.39
Rot. Bonds6

About N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide

N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide (PubChem CID 46415356) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
PubChem CID46415356
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC NameN,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C22H20F3N3O2S/c1-28(2)21(30)16-5-3-4-14(10-16)12-26-19(29)11-18-13-31-20(27-18)15-6-8-17(9-7-15)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,29)
InChIKeyAGOPLZMPDGDSKO-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55692927
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515765
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
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-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-N,N-dimethylbenzamide
CID 47069441
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide (CID 46415356) is N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide is CN(C)C(=O)c1cccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
The InChIKey is AGOPLZMPDGDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c1-28(2)21(30)16-5-3-4-14(10-16)12-26-19(29)11-18-13-31-20(27-18)15-6-8-17(9-7-15)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,29).
What are the key properties of N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide has a molecular weight of 447.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46415356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).