N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C21H18F3N3O2S — CID 16605105

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O2S/c1-12-4-3-5-14(8-12)20-26-16(11-30-20)10-19(29)27-18-7-6-15(25-13(2)28)9-17(18)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyOCYWAFRMDAVYHL-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.28
Rot. Bonds5

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16605105) has the molecular formula C21H18F3N3O2S and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16605105
Molecular FormulaC21H18F3N3O2S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N3O2S/c1-12-4-3-5-14(8-12)20-26-16(11-30-20)10-19(29)27-18-7-6-15(25-13(2)28)9-17(18)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyOCYWAFRMDAVYHL-UHFFFAOYSA-N
XLogP5.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 16561843
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 110342233
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 16605105) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OCYWAFRMDAVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2S/c1-12-4-3-5-14(8-12)20-26-16(11-30-20)10-19(29)27-18-7-6-15(25-13(2)28)9-17(18)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 433.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16605105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).