[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

C23H19F3N4O3S — CID 4781178

IUPAC[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESCc1ccccc1NC(=O)Cc1nc(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cs1
InChIInChI=1S/C23H19F3N4O3S/c1-14-6-2-3-7-16(14)28-19(31)10-20-27-15(13-34-20)12-33-21(32)11-30-18-9-5-4-8-17(18)29-22(30)23(24,25)26/h2-9,13H,10-12H2,1H3,(H,28,31)
InChIKeyBJDFSOZANDBNIX-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.74
Rot. Bonds7

About [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (PubChem CID 4781178) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
PubChem CID4781178
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
SMILESCc1ccccc1NC(=O)Cc1nc(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cs1
InChIInChI=1S/C23H19F3N4O3S/c1-14-6-2-3-7-16(14)28-19(31)10-20-27-15(13-34-20)12-33-21(32)11-30-18-9-5-4-8-17(18)29-22(30)23(24,25)26/h2-9,13H,10-12H2,1H3,(H,28,31)
InChIKeyBJDFSOZANDBNIX-UHFFFAOYSA-N
XLogP4.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 40633280
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenylpropanoate
CID 25161612
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenylbutanoate
CID 25163377
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(3-fluorophenyl)acetate
CID 55324992
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2,4-dihydroxybenzoate
CID 7500956
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
CID 2648465
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 2535825
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2649257
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 4780773
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 38170485
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4858226
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 46601597

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate (CID 4781178) is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is Cc1ccccc1NC(=O)Cc1nc(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cs1.
What is the InChIKey of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
The InChIKey is BJDFSOZANDBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-14-6-2-3-7-16(14)28-19(31)10-20-27-15(13-34-20)12-33-21(32)11-30-18-9-5-4-8-17(18)29-22(30)23(24,25)26/h2-9,13H,10-12H2,1H3,(H,28,31).
What are the key properties of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate?
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate has a molecular weight of 488.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 4781178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).