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

C19H17FN2O2S — CID 7518480

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN2O2S/c20-15-6-4-5-14(11-15)19-22-16(13-25-19)9-10-21-18(23)12-24-17-7-2-1-3-8-17/h1-8,11,13H,9-10,12H2,(H,21,23)
InChIKeyROQJSNVPBXLXDY-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.69
Rot. Bonds7

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide (PubChem CID 7518480) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
PubChem CID7518480
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN2O2S/c20-15-6-4-5-14(11-15)19-22-16(13-25-19)9-10-21-18(23)12-24-17-7-2-1-3-8-17/h1-8,11,13H,9-10,12H2,(H,21,23)
InChIKeyROQJSNVPBXLXDY-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide (CID 7518480) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is ROQJSNVPBXLXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-15-6-4-5-14(11-15)19-22-16(13-25-19)9-10-21-18(23)12-24-17-7-2-1-3-8-17/h1-8,11,13H,9-10,12H2,(H,21,23).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 356.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7518480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).