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

C20H17F3N2O3S — CID 1113639

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)COc3cccc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C20H17F3N2O3S/c1-27-15-7-5-13(6-8-15)9-17-11-24-19(29-17)25-18(26)12-28-16-4-2-3-14(10-16)20(21,22)23/h2-8,10-11H,9,12H2,1H3,(H,24,25,26)
InChIKeyAMPYEDHPSGUAIX-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.78
Rot. Bonds7

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

N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 1113639) has the molecular formula C20H17F3N2O3S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID1113639
Molecular FormulaC20H17F3N2O3S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)COc3cccc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C20H17F3N2O3S/c1-27-15-7-5-13(6-8-15)9-17-11-24-19(29-17)25-18(26)12-28-16-4-2-3-14(10-16)20(21,22)23/h2-8,10-11H,9,12H2,1H3,(H,24,25,26)
InChIKeyAMPYEDHPSGUAIX-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)acetamide
CID 910281
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
1-[5-(3-Propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907708
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
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 1113639) is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is COc1ccc(Cc2cnc(NC(=O)COc3cccc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is AMPYEDHPSGUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3S/c1-27-15-7-5-13(6-8-15)9-17-11-24-19(29-17)25-18(26)12-28-16-4-2-3-14(10-16)20(21,22)23/h2-8,10-11H,9,12H2,1H3,(H,24,25,26).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 422.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 1113639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).