[2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate

C19H15NO4S — CID 91570829

IUPAC[2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate
SMILESO=C(OCC(OC(=O)c1ccccc1)c1cscn1)c1ccccc1
InChIInChI=1S/C19H15NO4S/c21-18(14-7-3-1-4-8-14)23-11-17(16-12-25-13-20-16)24-19(22)15-9-5-2-6-10-15/h1-10,12-13,17H,11H2
InChIKeyMEDXFFMMKZOWJS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.90
Rot. Bonds6

About [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate

[2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate (PubChem CID 91570829) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate.

Molecular Properties

Compound Name[2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate
PubChem CID91570829
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name[2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate
SMILESO=C(OCC(OC(=O)c1ccccc1)c1cscn1)c1ccccc1
InChIInChI=1S/C19H15NO4S/c21-18(14-7-3-1-4-8-14)23-11-17(16-12-25-13-20-16)24-19(22)15-9-5-2-6-10-15/h1-10,12-13,17H,11H2
InChIKeyMEDXFFMMKZOWJS-UHFFFAOYSA-N
XLogP3.90
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate?
The IUPAC name of [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate (CID 91570829) is [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate.
What is the SMILES notation for [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate?
The canonical SMILES for [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate is O=C(OCC(OC(=O)c1ccccc1)c1cscn1)c1ccccc1.
What is the InChIKey of [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate?
The InChIKey is MEDXFFMMKZOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-18(14-7-3-1-4-8-14)23-11-17(16-12-25-13-20-16)24-19(22)15-9-5-2-6-10-15/h1-10,12-13,17H,11H2.
What are the key properties of [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate?
[2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate has a molecular weight of 353.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzoyloxy-2-(1,3-thiazol-4-yl)ethyl] benzoate is sourced from PubChem (CID 91570829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).