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

C21H19FN2O4S — CID 8606010

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1
InChIInChI=1S/C21H19FN2O4S/c1-3-27-19-11-7-4-8-16(19)20(26)28-12-15-13-29-21(23-15)24(14(2)25)18-10-6-5-9-17(18)22/h4-11,13H,3,12H2,1-2H3
InChIKeyAKYZUIUVQVJHMI-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.72
Rot. Bonds7

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

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate (PubChem CID 8606010) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
PubChem CID8606010
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1
InChIInChI=1S/C21H19FN2O4S/c1-3-27-19-11-7-4-8-16(19)20(26)28-12-15-13-29-21(23-15)24(14(2)25)18-10-6-5-9-17(18)22/h4-11,13H,3,12H2,1-2H3
InChIKeyAKYZUIUVQVJHMI-UHFFFAOYSA-N
XLogP4.72
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.72
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-ethoxybenzoate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate (CID 8606010) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
The InChIKey is AKYZUIUVQVJHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-3-27-19-11-7-4-8-16(19)20(26)28-12-15-13-29-21(23-15)24(14(2)25)18-10-6-5-9-17(18)22/h4-11,13H,3,12H2,1-2H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate has a molecular weight of 414.46 g/mol, XLogP of 4.72, 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-ethoxybenzoate is sourced from PubChem (CID 8606010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).