2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide

C20H17F3N2O2S — CID 7287525

IUPAC2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2S/c1-27-17-5-3-2-4-16(17)18(26)24-11-10-15-12-28-19(25-15)13-6-8-14(9-7-13)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyFQDRCVWKTHHUHQ-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.81
Rot. Bonds6

About 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide

2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7287525) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7287525
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2S/c1-27-17-5-3-2-4-16(17)18(26)24-11-10-15-12-28-19(25-15)13-6-8-14(9-7-13)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyFQDRCVWKTHHUHQ-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]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-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-methoxybenzamide
CID 979773
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2,4-dimethoxybenzamide
CID 7216579
N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-methoxybenzamide
CID 7518131
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-methoxybenzamide
CID 7518350
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-(trifluoromethyl)benzamide
CID 16031912
2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 16189568
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
2-methoxy-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]benzamide
CID 24981675

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide (CID 7287525) is 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is FQDRCVWKTHHUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-27-17-5-3-2-4-16(17)18(26)24-11-10-15-12-28-19(25-15)13-6-8-14(9-7-13)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26).
What are the key properties of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 406.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7287525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).