[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

C20H17FN2O4S — CID 7980194

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate
SMILESCC(=O)N(c1nc(COC(=O)COc2ccccc2)cs1)c1ccccc1F
InChIInChI=1S/C20H17FN2O4S/c1-14(24)23(18-10-6-5-9-17(18)21)20-22-15(13-28-20)11-27-19(25)12-26-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3
InChIKeyKHGYORYWLMMVNY-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.09
Rot. Bonds7

About [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate (PubChem CID 7980194) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate
PubChem CID7980194
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate
SMILESCC(=O)N(c1nc(COC(=O)COc2ccccc2)cs1)c1ccccc1F
InChIInChI=1S/C20H17FN2O4S/c1-14(24)23(18-10-6-5-9-17(18)21)20-22-15(13-28-20)11-27-19(25)12-26-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3
InChIKeyKHGYORYWLMMVNY-UHFFFAOYSA-N
XLogP4.09
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate (CID 7980194) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate is CC(=O)N(c1nc(COC(=O)COc2ccccc2)cs1)c1ccccc1F.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
The InChIKey is KHGYORYWLMMVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-14(24)23(18-10-6-5-9-17(18)21)20-22-15(13-28-20)11-27-19(25)12-26-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate has a molecular weight of 400.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate is sourced from PubChem (CID 7980194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).