N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide

C23H18FN3O2S — CID 42764865

IUPACN-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C23H18FN3O2S/c24-17-7-5-9-19(13-17)26-23-27-21(15-30-23)16-6-4-8-18(12-16)25-22(28)14-29-20-10-2-1-3-11-20/h1-13,15H,14H2,(H,25,28)(H,26,27)
InChIKeyRPQUABQSZBMAGC-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.71
Rot. Bonds7

About N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide

N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide (PubChem CID 42764865) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
PubChem CID42764865
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC NameN-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C23H18FN3O2S/c24-17-7-5-9-19(13-17)26-23-27-21(15-30-23)16-6-4-8-18(12-16)25-22(28)14-29-20-10-2-1-3-11-20/h1-13,15H,14H2,(H,25,28)(H,26,27)
InChIKeyRPQUABQSZBMAGC-UHFFFAOYSA-N
XLogP5.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3950019
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 28865252
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
2-(3-methoxyphenoxy)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 110492871
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55356708
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide (CID 42764865) is N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1.
What is the InChIKey of N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is RPQUABQSZBMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-17-7-5-9-19(13-17)26-23-27-21(15-30-23)16-6-4-8-18(12-16)25-22(28)14-29-20-10-2-1-3-11-20/h1-13,15H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide?
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 419.48 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 42764865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).