N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide

C20H18FN3O3S — CID 46299924

IUPACN-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
SMILESCC(=O)Nc1sc(NC(=O)COc2ccc(F)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C20H18FN3O3S/c1-12-3-5-14(6-4-12)18-19(22-13(2)25)28-20(24-18)23-17(26)11-27-16-9-7-15(21)8-10-16/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyJJDXJSCQQVIUEA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.23
Rot. Bonds6

About N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide

N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 46299924) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID46299924
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
SMILESCC(=O)Nc1sc(NC(=O)COc2ccc(F)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C20H18FN3O3S/c1-12-3-5-14(6-4-12)18-19(22-13(2)25)28-20(24-18)23-17(26)11-27-16-9-7-15(21)8-10-16/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyJJDXJSCQQVIUEA-UHFFFAOYSA-N
XLogP4.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 46299919
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
2-(4-tert-butylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217804
2-(3,4-dimethylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217567
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218344
N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347610
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 12525792
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
2-(2-ethoxyphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9094333

Frequently Asked Questions

What is the IUPAC name of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide (CID 46299924) is N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide is CC(=O)Nc1sc(NC(=O)COc2ccc(F)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is JJDXJSCQQVIUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-12-3-5-14(6-4-12)18-19(22-13(2)25)28-20(24-18)23-17(26)11-27-16-9-7-15(21)8-10-16/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 46299924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).