2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C20H17F3N2O2S — CID 1177180

IUPAC2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1
InChIInChI=1S/C20H17F3N2O2S/c1-13-4-2-7-16(8-13)27-12-18(26)25-19-24-11-17(28-19)10-14-5-3-6-15(9-14)20(21,22)23/h2-9,11H,10,12H2,1H3,(H,24,25,26)
InChIKeyYEZATRGHKQEMAL-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.08
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 1177180) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID1177180
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1
InChIInChI=1S/C20H17F3N2O2S/c1-13-4-2-7-16(8-13)27-12-18(26)25-19-24-11-17(28-19)10-14-5-3-6-15(9-14)20(21,22)23/h2-9,11H,10,12H2,1H3,(H,24,25,26)
InChIKeyYEZATRGHKQEMAL-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678142
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2102526
US10913733, Example 42
CID 137361278
3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)acrylamide
CID 1113594
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 24573092
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
2-(4-bromophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 1181170
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 1177180) is 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YEZATRGHKQEMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-13-4-2-7-16(8-13)27-12-18(26)25-19-24-11-17(28-19)10-14-5-3-6-15(9-14)20(21,22)23/h2-9,11H,10,12H2,1H3,(H,24,25,26).
What are the key properties of 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 406.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1177180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).