4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide

C21H21FN2O2S — CID 7207738

IUPAC4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C21H21FN2O2S/c1-3-26-18-10-6-15(7-11-18)20(25)23-13-12-19-14(2)24-21(27-19)16-4-8-17(22)9-5-16/h4-11H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyDYAATLXOPBUXJE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.63
Rot. Bonds7

About 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide

4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7207738) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7207738
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C21H21FN2O2S/c1-3-26-18-10-6-15(7-11-18)20(25)23-13-12-19-14(2)24-21(27-19)16-4-8-17(22)9-5-16/h4-11H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyDYAATLXOPBUXJE-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7207738) is 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is DYAATLXOPBUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-3-26-18-10-6-15(7-11-18)20(25)23-13-12-19-14(2)24-21(27-19)16-4-8-17(22)9-5-16/h4-11H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7207738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).