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

C21H17F3N2O3S — CID 18836246

IUPAC2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-13(27)15-5-7-17(8-6-15)29-12-19(28)26-20-25-11-18(30-20)10-14-3-2-4-16(9-14)21(22,23)24/h2-9,11H,10,12H2,1H3,(H,25,26,28)
InChIKeyZUZSZXNHFRDYGP-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.97
Rot. Bonds7

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

2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 18836246) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID18836246
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-13(27)15-5-7-17(8-6-15)29-12-19(28)26-20-25-11-18(30-20)10-14-3-2-4-16(9-14)21(22,23)24/h2-9,11H,10,12H2,1H3,(H,25,26,28)
InChIKeyZUZSZXNHFRDYGP-UHFFFAOYSA-N
XLogP4.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 16579317
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
2-(4-acetylphenoxy)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836322
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726
2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836221
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 18836246) is 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZUZSZXNHFRDYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-13(27)15-5-7-17(8-6-15)29-12-19(28)26-20-25-11-18(30-20)10-14-3-2-4-16(9-14)21(22,23)24/h2-9,11H,10,12H2,1H3,(H,25,26,28).
What are the key properties of 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18836246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).