2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

C20H16F3N3O3S — CID 78843675

IUPAC2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)COc1ccccc1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)13-7-5-12(6-8-13)9-14-10-25-19(30-14)26-18(28)15-3-1-2-4-16(15)29-11-17(24)27/h1-8,10H,9,11H2,(H2,24,27)(H,25,26,28)
InChIKeyBKRANRSXFZZMLS-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.87
Rot. Bonds7

About 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide

2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 78843675) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID78843675
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)COc1ccccc1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)13-7-5-12(6-8-13)9-14-10-25-19(30-14)26-18(28)15-3-1-2-4-16(15)29-11-17(24)27/h1-8,10H,9,11H2,(H2,24,27)(H,25,26,28)
InChIKeyBKRANRSXFZZMLS-UHFFFAOYSA-N
XLogP3.87
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide 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

2-(2-amino-2-oxoethoxy)-N-(5-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 167804221
N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 42999638
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810
6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 90448755
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
2,3-dimethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 24575784
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
3-[[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074623

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 78843675) is 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is NC(=O)COc1ccccc1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BKRANRSXFZZMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-20(22,23)13-7-5-12(6-8-13)9-14-10-25-19(30-14)26-18(28)15-3-1-2-4-16(15)29-11-17(24)27/h1-8,10H,9,11H2,(H2,24,27)(H,25,26,28).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 435.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 78843675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).