2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C20H17F3N2O3S — CID 46535725

IUPAC2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1
InChIInChI=1S/C20H17F3N2O3S/c1-27-15-6-2-14(3-7-15)11-18(26)25-19-24-12-17(29-19)10-13-4-8-16(9-5-13)28-20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,25,26)
InChIKeyVZEZPPJEEBKWQC-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.82
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 46535725) has the molecular formula C20H17F3N2O3S and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID46535725
Molecular FormulaC20H17F3N2O3S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1
InChIInChI=1S/C20H17F3N2O3S/c1-27-15-6-2-14(3-7-15)11-18(26)25-19-24-12-17(29-19)10-13-4-8-16(9-5-13)28-20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,25,26)
InChIKeyVZEZPPJEEBKWQC-UHFFFAOYSA-N
XLogP4.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide 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-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 43047806
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
4-(acetamidomethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535692
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535749
4-(2-acetamidoethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30685595
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78843727
7-methyl-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25494728
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 46535725) is 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VZEZPPJEEBKWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3S/c1-27-15-6-2-14(3-7-15)11-18(26)25-19-24-12-17(29-19)10-13-4-8-16(9-5-13)28-20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,25,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 422.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46535725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).