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

C21H21FN2O2S — CID 7503025

IUPAC2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C21H21FN2O2S/c1-3-26-18-7-5-4-6-17(18)20(25)23-13-12-19-14(2)24-21(27-19)15-8-10-16(22)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyOLSUEUKJEOPZEO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.63
Rot. Bonds7

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

2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7503025) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7503025
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C21H21FN2O2S/c1-3-26-18-7-5-4-6-17(18)20(25)23-13-12-19-14(2)24-21(27-19)15-8-10-16(22)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyOLSUEUKJEOPZEO-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 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7503025) is 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is OLSUEUKJEOPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-3-26-18-7-5-4-6-17(18)20(25)23-13-12-19-14(2)24-21(27-19)15-8-10-16(22)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
2-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 2-ethoxy-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7503025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).