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

C20H19FN2O2S — CID 7518481

IUPAC2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H19FN2O2S/c1-2-25-18-9-4-3-8-17(18)19(24)22-11-10-16-13-26-20(23-16)14-6-5-7-15(21)12-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,24)
InChIKeyYAQUFKLWJODKDV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.32
Rot. Bonds7

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

2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7518481) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7518481
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H19FN2O2S/c1-2-25-18-9-4-3-8-17(18)19(24)22-11-10-16-13-26-20(23-16)14-6-5-7-15(21)12-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,24)
InChIKeyYAQUFKLWJODKDV-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.32
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-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7518481) is 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is YAQUFKLWJODKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-2-25-18-9-4-3-8-17(18)19(24)22-11-10-16-13-26-20(23-16)14-6-5-7-15(21)12-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
2-ethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.32, 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-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7518481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).