[2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate

C19H15FN2O4S — CID 8003591

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O4S/c20-13-5-7-14(8-6-13)22-18(23)10-26-19(24)16-3-1-2-4-17(16)25-9-15-11-27-12-21-15/h1-8,11-12H,9-10H2,(H,22,23)
InChIKeyMENZRYZPWQZLQR-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.66
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate

[2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 8003591) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate
PubChem CID8003591
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O4S/c20-13-5-7-14(8-6-13)22-18(23)10-26-19(24)16-3-1-2-4-17(16)25-9-15-11-27-12-21-15/h1-8,11-12H,9-10H2,(H,22,23)
InChIKeyMENZRYZPWQZLQR-UHFFFAOYSA-N
XLogP3.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate (CID 8003591) is [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate is O=C(COC(=O)c1ccccc1OCc1cscn1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate?
The InChIKey is MENZRYZPWQZLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c20-13-5-7-14(8-6-13)22-18(23)10-26-19(24)16-3-1-2-4-17(16)25-9-15-11-27-12-21-15/h1-8,11-12H,9-10H2,(H,22,23).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 386.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 8003591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).